Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1345627-73-7 | MDL No. : | MFCD29918985 |
Formula : | C6H4Br2F2N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | CVQSLVCQGXUJQU-UHFFFAOYSA-N |
M.W : | 301.91 | Pubchem ID : | 89398323 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 50.57 |
TPSA : | 52.04 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.62 cm/s |
Log Po/w (iLOGP) : | 1.53 |
Log Po/w (XLOGP3) : | 2.14 |
Log Po/w (WLOGP) : | 3.51 |
Log Po/w (MLOGP) : | 3.17 |
Log Po/w (SILICOS-IT) : | 2.66 |
Consensus Log Po/w : | 2.6 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.43 |
Solubility : | 0.112 mg/ml ; 0.000371 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.86 |
Solubility : | 0.412 mg/ml ; 0.00137 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.93 |
Solubility : | 0.0354 mg/ml ; 0.000117 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 3.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.94 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
![]() |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With thionyl chloride; triethylamine In dichloromethane at 20 - 46℃; for 6 h; | 4,7-Dibromo-5,6-difuorobenzo[c][1,2,5]thiadiazole (8) 3,6-Dibromo-4,5-difluorobenzene-1,2-diamine (7, 737 mg, 2.441 mmol) was added to asolution of 15 mL of dichloromethane and triethylamine (1.36 mL, 9.76 mmol) and cooleddown to ice cold condition. Thionyl chloride (0.36 mL) was added very slowly usingdropping funnel, the temperature of the reaction mixture was brought up to rt andsubsequently refluxed at 46 °C for 6 h. The mixture was cooled to rt and was added to icecold water. The pH was brought to ~1 using HCl. The organic part was extracted withdichloromethane and the organic layer washed with water and dried over sodium sulfate. Thesolvent was removed under vacuum and the crude product purified by columnchromatography to obtain compound 8 as fine white needles. Yield 88percent |
59% | With thionyl chloride; triethylamine In dichloromethane at 0 - 70℃; for 25 h; | To a stirred solution of compound 12 (2.72 g, 9.0 mmol) and triethylamine (17 mL, 119.2 mmol) in 100 mL of methylene chloride, thionyl chloride (4.3 mL, 59.6 mmol) was added dropwise over 1 h at 0 °C. After 24 h at 70 °C, the reaction mixture was diluted with 200 mL of CHCl3 and dried with MgSO4. The solvent was removed under reduced pressure, and the solid residue was purified by column chromatography to give 5.8 g (59percent) of the compound 13, a light yellow solid. 13C NMR (75 MHz, CDCl3): δ (ppm)151.7 (dd, 1JC-F = 261.3 Hz and 2JC-F = 20.8 Hz), 148.8, 99.3 (dd, 2JC-F = 13.9 Hz and 3JC-F = 10.4 Hz). HRMS (m/z, EI+) calcd for C6Br2F2N2S 329.8096, found 329.8104. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 7 steps 1: bromine / dichloromethane / Reflux 2: sulfuric acid; nitric acid / 2 h / -10 °C 3: hydrogenchloride; tin(II) chloride hydrate / ethanol / 0 °C / Reflux 4: chloroform / 2 h / 20 °C 5: sulfuric acid; nitric acid / 2 h / -10 °C 6: sulfuric acid / water / 3 h / Reflux 7: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux | ||
Multi-step reaction with 3 steps 1: bromine / 0 - 58 °C / Inert atmosphere 2: sulfuric acid; nitric acid / 0 - 70 °C / Inert atmosphere 3: iron; acetic acid / 6 h / 45 °C / Inert atmosphere | ||
Multi-step reaction with 3 steps 1: bromine / 0 °C 2: nitric acid; trifluorormethanesulfonic acid / 2.5 h / 0 - 70 °C 3: iron; acetic acid / 4 h / 45 °C |
Multi-step reaction with 3 steps 1: bromine / tetrahydrofuran / 12 h / 0 - 60 °C 2: nitric acid; trifluorormethanesulfonic acid / 24 h / 50 °C / Inert atmosphere 3: iron; acetic acid / 1.5 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 3 steps 1: bromine / 13 h / 58 °C 2: trifluorormethanesulfonic acid; nitric acid / 0 - 70 °C 3: acetic acid; iron / 6 h / 45 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: sulfuric acid; nitric acid / 2 h / -10 °C 2: sulfuric acid / water / 3 h / Reflux 3: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sulfuric acid / water / 3 h / Reflux 2: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; tin(II) chloride hydrate In ethanol at 20℃; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With thionyl chloride; triethylamine; In dichloromethane; at 20 - 46℃; for 6h; | 4,7-Dibromo-5,6-difuorobenzo[c][1,2,5]thiadiazole (8) 3,6-Dibromo-4,5-difluorobenzene-1,2-diamine (7, 737 mg, 2.441 mmol) was added to asolution of 15 mL of dichloromethane and triethylamine (1.36 mL, 9.76 mmol) and cooleddown to ice cold condition. Thionyl chloride (0.36 mL) was added very slowly usingdropping funnel, the temperature of the reaction mixture was brought up to rt andsubsequently refluxed at 46 C for 6 h. The mixture was cooled to rt and was added to icecold water. The pH was brought to ~1 using HCl. The organic part was extracted withdichloromethane and the organic layer washed with water and dried over sodium sulfate. Thesolvent was removed under vacuum and the crude product purified by columnchromatography to obtain compound 8 as fine white needles. Yield 88% |
59% | With thionyl chloride; triethylamine; In dichloromethane; at 0 - 70℃; for 25h; | To a stirred solution of compound 12 (2.72 g, 9.0 mmol) and triethylamine (17 mL, 119.2 mmol) in 100 mL of methylene chloride, thionyl chloride (4.3 mL, 59.6 mmol) was added dropwise over 1 h at 0 C. After 24 h at 70 C, the reaction mixture was diluted with 200 mL of CHCl3 and dried with MgSO4. The solvent was removed under reduced pressure, and the solid residue was purified by column chromatography to give 5.8 g (59%) of the compound 13, a light yellow solid. 13C NMR (75 MHz, CDCl3): delta (ppm)151.7 (dd, 1JC-F = 261.3 Hz and 2JC-F = 20.8 Hz), 148.8, 99.3 (dd, 2JC-F = 13.9 Hz and 3JC-F = 10.4 Hz). HRMS (m/z, EI+) calcd for C6Br2F2N2S 329.8096, found 329.8104. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: chloroform / 2 h / 20 °C 2: sulfuric acid; nitric acid / 2 h / -10 °C 3: sulfuric acid / water / 3 h / Reflux 4: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: hydrogenchloride; tin(II) chloride hydrate / ethanol / 0 °C / Reflux 2: chloroform / 2 h / 20 °C 3: sulfuric acid; nitric acid / 2 h / -10 °C 4: sulfuric acid / water / 3 h / Reflux 5: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 8 steps 1: lithium diisopropyl amide / 2 h / -78 - 20 °C 2: bromine / dichloromethane / Reflux 3: sulfuric acid; nitric acid / 2 h / -10 °C 4: hydrogenchloride; tin(II) chloride hydrate / ethanol / 0 °C / Reflux 5: chloroform / 2 h / 20 °C 6: sulfuric acid; nitric acid / 2 h / -10 °C 7: sulfuric acid / water / 3 h / Reflux 8: hydrogenchloride; tin(II) chloride hydrate / ethanol / 20 °C / Reflux | ||
Multi-step reaction with 4 steps 1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 3 h / -78 °C / Inert atmosphere 2: bromine / 0 - 58 °C / Inert atmosphere 3: sulfuric acid; nitric acid / 0 - 70 °C / Inert atmosphere 4: iron; acetic acid / 6 h / 45 °C / Inert atmosphere | ||
Multi-step reaction with 4 steps 1.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 °C 2.1: bromine / 0 °C 3.1: nitric acid; trifluorormethanesulfonic acid / 2.5 h / 0 - 70 °C 4.1: iron; acetic acid / 4 h / 45 °C |
Multi-step reaction with 4 steps 1.1: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 °C / Inert atmosphere 2.1: bromine / tetrahydrofuran / 12 h / 0 - 60 °C 3.1: nitric acid; trifluorormethanesulfonic acid / 24 h / 50 °C / Inert atmosphere 4.1: iron; acetic acid / 1.5 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 4 steps 1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 3 h / -78 °C / Inert atmosphere 2: bromine / 13 h / 58 °C 3: trifluorormethanesulfonic acid; nitric acid / 0 - 70 °C 4: acetic acid; iron / 6 h / 45 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With iron; acetic acid | |
89% | With iron; acetic acid at 45℃; for 6h; Inert atmosphere; | 4 2.2.4 3,6-Dibromo-4,5-difluorobenzene-1,2-diamine (4) In a 250mL two-neck round-bottom flask, 1,4-dibromo-2,3-difluoro-5,6-dinitrobenzene 3 (3.3g, 9.2mmol), iron powder (7.3g, 130mmol) and acetic acid (130mL) were stirred at 45°C for 6h under argon protection. The solution was cooled down to room temperature and poured into cold 5% NaOH solution (400mL). Then ethyl acetate was added to extract the organic part three times. The ethyl acetate phase was washed with NaHCO3 solution, dried with anhydrous MgSO4, and then the solvent was removed under vacuum to yield 2.5g (89%) of the product as light yellow powder. 1H NMR (300MHz, DMSO) δ (ppm): 5.16 (s, 4H). 13C NMR (75MHz, DMSO) δ (ppm): 141.07, 140.83, 137.97, 130.06, 130.04, 94.65, 94.50, 94.36. |
86% | With iron; acetic acid at 80℃; for 1.5h; Inert atmosphere; | 2.4.9. Synthesis of 1,4-dibromo-2,3-difluoro-5,6-diaminobenzene (12) To a stirred solution of compound 11 (12.5 g, 34.5 mmol) in 120 mL of acetic acid under argon was added iron powder (13.1 g, 234.9 mmol). After 1.5 h at 80 °C, to the reaction mixture was treated with 60 mL of 1 N NaOH aqueous solution and 50 mL of ethyl acetate. After the hot filtration with ethyl acetate, the residue was diluted with 100 mL of ethyl acetate. The organic phase was washed with 3 x 50 mL of water and the total organic extracts were combined and dried over MgSO4. The solvent was removed under reduced pressure to give 9.2 g (86%) of compound 12 as a brown solid. 13C NMR (75 MHz, CDCl3): δ (ppm) 141.7 (dd, 1JC-F = 241.6 Hz and 2JC-F = 18.5 Hz), 129.5, 98.2 (dd, 2JC-F = 11.5 Hz and 2JC-F = 10.4 Hz). HRMS (m/z, EI+) calcd for C6H4Br2F2N2 299.8709, found 299.8707. |
83% | With iron; acetic acid at 45℃; for 6h; Inert atmosphere; | 1.S2; 2.S2; 3.S2; 4.S2; 5.S2; 6.S2; 7.S2; 8.S2; 9.S2 Preparation of S2, 3,6-dibromobenzene-4,5-difluoro-1,2-phenylenediamine: 1,4-dibromobenzene-2,3-difluoro-5,6-dinitrobenzene (3g) and iron powder (14eq) were added to a 250mL double-necked round-bottomed flask, vacuumed and passed through nitrogen; then,Acetic acid (70 mL) was added and the temperature was raised to 45°C while stirring, and the reaction was carried out for 6 h.After cooling to room temperature, the reaction solution was poured into 5% NaOH solution (180 mL),Extract with ethyl acetate three times; finally, wash the ethyl acetate layer with saturated sodium bicarbonate solution, then dry with anhydrous sodium sulfate, remove the ethyl acetate by vacuum distillation to obtain a black solid, wash the black solid with petroleum ether three times, and filter to obtain black filter residue,Its mass was 2 g (83% yield); |
72% | With iron; acetic acid at 45℃; for 6h; Inert atmosphere; | 3,6-Dibromo-4,5-difluorobenzene-1,2-diamine (7) 3,6-Dibromo-4,5-difluorobenzene-1,2-diamine (7) 1,4-dibromo-2,3-difluoro-5,6-dinitrobenzene (6, 800 mg, 2.21 mmol), iron powder (1.78 g)and acetic acid (32 ml) were placed in a two-necked round-bottomed flask and stirred at45 °C for 6 h under a nitrogen atmosphere. The reaction mixture was allowed to cool andpoured in 5% NaOH solution and extracted with ethyl acetate. The organic phase was washedwith sodium bicarbonate solution, followed by brine and water. After drying over anhydroussodium sulfate the solvent was removed under vacuum using a rotary evaporator to yield afine orange-yellow solid with a yield of 72%. |
68% | With iron; acetic acid at 45℃; for 4h; | |
With iron; acetic acid at 50℃; for 5h; | ||
With iron; acetic acid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With acetic acid; sodium nitrite In water at 20℃; for 1.33333h; Inert atmosphere; | 5 2.2.5 4,7-Dibromo-5,6-difluoro-1H-benzotriazole (5) In a 150mL round-bottom flask, 3,6-dibromo-4,5-difluorobenzene-1,2-diamine 4 (2.4g, 8mmol) was dissolved in 100mL of AcOH at room temperature. A solution of NaNO2 (2.76g, 40mmol) in 20mL of H2O was added in 20min. The mixture was stirred at room temperature for 1h and precipitated into ice water. The resulting brown solid was filtered and recrystallized from benzene to yield 2.3g (84%) of the product as a light gray solid. 13C NMR (75MHz, DMSO) δ (ppm): 149.47, 149.21, 146.17, 145.93, 135.16, 94.67. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid; sodium nitrite / water / 1.33 h / 20 °C / Inert atmosphere 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6.5 h / 0 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid; sodium nitrite / water / 1.33 h / 20 °C / Inert atmosphere 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6.5 h / 0 - 20 °C / Inert atmosphere 3: bis-triphenylphosphine-palladium(II) chloride / toluene / 72 h / 110 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: acetic acid; sodium nitrite / water / 1.33 h / 20 °C / Inert atmosphere 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6.5 h / 0 - 20 °C / Inert atmosphere 3: bis-triphenylphosphine-palladium(II) chloride / toluene / 72 h / 110 °C / Inert atmosphere 4: N-Bromosuccinimide / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere; Darkness |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: thionyl chloride; triethylamine / chloroform 2: tetrakis(triphenylphosphine) palladium(0) / toluene |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: thionyl chloride; triethylamine / chloroform 2: tetrakis(triphenylphosphine) palladium(0) / toluene 3: N-Bromosuccinimide / tetrahydrofuran |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | With acetic acid; sodium nitrite In water at 20℃; | Synthesis of 4,7-Dibromo-5,6-difluoro-2H-benzo[d][1,2,3]triazole (1). A solution of sodium nitride (0.27 g, 25.6mmol) in acetic acid (60 mL) and water (30 mL) was slowly added to a solution of 3,6-dibromo-4,5-difluorobenzene-1,2-diamine (1.00 g, 21.4 mmol). Stirring was continued for 20min and then the reaction mixture was maintained at room temperature. A pale-pink solid precipitate formed. The mixture was filtered and thoroughly washed with water. The solid was then washed once with cold diethyl ether and purified by flash chromatography to give 1.50 g (80%) ofcompound 1. |
80% | With acetic acid; sodium nitrite In water at 20℃; for 0.333333h; | 3 Preparation of 4,7-dibromo-5,6-difluoro-2H-benzo [d] [1,2,3] triazole (Compound 1) In a 250 mL round flask 3, 6-dibromo-4,5-difluorobenzene-1,2-diamine (5.68 g, 21.4 mmol) , 60 mL of acetic acid, 30 mL of distilled water and sodium nitrite (1.77 g, 25.6 mmol) were slowly added thereof, followed by stirring at room temperature for 20 minutes. After the reaction was completed, the resulting solid was filtered through distilled water to give 4,7-dibromo-5,6-difluoro-2H-benzo [d] [1,2,3] triazole (Compound 1). (Yield: 80%). Anal.calcd for C 6 H 3 Br 2 N 3: C, 26.02; H, 1.09; Br, 57.71; N, 15.17. Found: C, 25.91; H, 0.99; N, 15.12. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sodium nitrite; acetic acid / water / 20 °C 2: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 3 h / 0 °C / Inert atmosphere | ||
Multi-step reaction with 2 steps 1: acetic acid; sodium nitrite / water / 0.33 h / 20 °C 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 3 h / 0 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: sodium nitrite; acetic acid / water / 20 °C 2: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 3 h / 0 °C / Inert atmosphere 3: bis-triphenylphosphine-palladium(II) chloride / toluene / Reflux | ||
Multi-step reaction with 3 steps 1: acetic acid; sodium nitrite / water / 0.33 h / 20 °C 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 3 h / 0 - 20 °C 3: bis-triphenylphosphine-palladium(II) chloride / 12 h / 100 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: sodium nitrite; acetic acid / water / 20 °C 2: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 3 h / 0 °C / Inert atmosphere 3: bis-triphenylphosphine-palladium(II) chloride / toluene / Reflux 4: N-Bromosuccinimide / tetrahydrofuran / 4 h / 20 °C / Darkness | ||
Multi-step reaction with 4 steps 1: acetic acid; sodium nitrite / water / 0.33 h / 20 °C 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 3 h / 0 - 20 °C 3: bis-triphenylphosphine-palladium(II) chloride / 12 h / 100 °C 4: N-Bromosuccinimide / N,N-dimethyl-formamide / 3 h / 0 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / Reflux 2: tetrakis(triphenylphosphine) palladium(0) / toluene / 90 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / Reflux 2: tetrakis(triphenylphosphine) palladium(0) / toluene / 90 °C / Inert atmosphere 3: N-Bromosuccinimide / chloroform / 2 h / 0 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
77% | With acetic acid Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With acetic acid In tetrahydrofuran at 60℃; | 4 Preparation of 10,13-dibromo-11,12-difluoro-2,7-dioctyldibenzo [a, c] phenazine In a 50 ml three-necked flask, 2,7-dioctyl-9,10-phenanthrenequinone (2.16 g, 5 mmol), 3,6-dibromo-4,5-difluoro-1,2-phenylenediamine 1.51 g, 5 mmol), acetic acid (20 mL) and tetrahydrofuran (5 mL), and the mixture was stirred at 60 ° C overnight.After completion of the reaction, the reaction was poured into water, filtered and the residue was recrystallized from an ethanol / tetrahydrofuran mixed solution to give 3.14 g of a yellow solid in 90% yield. |
With acetic acid In tetrahydrofuran at 60℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With acetic acid In ethanol at 70℃; | Synthesis of 5,8-Dibromo-6,7-difluoro-2,3-dihexylquinoxaline (4). A solution of tetradecane-7,8-dione (2) (1.8 mL, 7.95 mmol), 3,6-dibromo-4,5-difluorobenzene-1,2-diamine (3) (2.03 g, 6.62 mmol), and ethanol (150 mL) was heated at 70 °C overnight. After cooling to room temperature, the reaction mixture was treated with water and ethyl acetate. The aqueous phase was extracted with ethyl acetate and combined organic layer was dried with MgSO4. After concentration of the organic phase under reduced pressure, the residue was purified by column chromatography to give compound 4 as white solid. 1H NMR (400 MHz, CDCl3) δ 0.89 (t, 6H, J = 7.0 Hz), 1.33-1.40 (m, 12H), 1.88 (quin, 4H,J = 7.8 Hz), 3.04 (t, 4H, J = 7.5 Hz). 13C NMR (100 MHz, CDCl3) δ 14.06, 22.60, 27.43, 29.12, 31.73, 34.57, 109.15, 135.61, 149.5 (d, J = 254 Hz, C-F), 158.03. HRMS (m/z, EI+) calcd for C20H26Br2F2N2 490.0431, found 490.0435. | |
In ethanol at 70℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / ethanol / 70 °C 2: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 12 h / 110 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / ethanol / 70 °C 2: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 12 h / 110 °C 3: N-Bromosuccinimide / tetrahydrofuran / 24 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / 12 h / Reflux 2: bis-triphenylphosphine-palladium(II) chloride / toluene / Reflux; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 12 h / Reflux 2: bis-triphenylphosphine-palladium(II) chloride / toluene / Reflux; Inert atmosphere 3: N-Bromosuccinimide / N,N-dimethyl-formamide / 40 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | With toluene-4-sulfonic acid for 15h; Reflux; | |
With toluene-4-sulfonic acid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With sodium tetrahydroborate; In ethanol; at 0 - 20℃; for 6h; | c) 5,6-difluoro-4,7-dibromobenzo-1,2,5-thiadiazole (2.9mmol, 0.92g) mixed with absolute ethanol (30 mL) was placed in a 250mL one-necked flask. At 0C, was added dropwise NaBH4 (2.9mmol, 1.13g). After, it was reacted at room temperature for 6h. After the reaction, the reaction was quenched with 100mL distilled water. Extracted with dichloromethane. The organic phase was washed three times to remove water-soluble impurities and unreacted starting material. Using a rotary evaporator, solvent was spin dried. After drying in vacuo a white crystalline Intermediate 3 was obtained. Directly used in the next reaction without purification. (0.72g, yield: 88%) |
86% | With sodium tetrahydroborate; ethanol; at 20℃; for 6h; | A mixture of 3,4-difluoro-4,7-dibromobenzothiadiazole (2.9 mmol, 0.92 g) and absolute ethanol (30 mL) were mixed into a 250 mL one-necked flask and NaBH4 (2.9 mmol, 1.13 g) was added at room temperature for 6 h, and the reaction was quenched with 100 mL of distilled water after the reaction. Extracted with methylene chloride, the organic phase washed three times to remove water-soluble impurities and unreacted raw materials, rotary evaporator rotary dry solvent, vacuum drying in white crystalline solid 5. Do not use the purification directly to the next step. (0.75 g, yield: 86%). |
81% | With sodium tetrahydroborate; In ethanol; at 20℃; for 6h; | (1) Formula (IIb) the compounds of formula [brief records compound (IIb), the cartridge] (3.68 g, 11 . 60 mmol) dissolved in 200 ml anhydrous alcohol, under stirring at room temperature slowly adding NaBH4(4.52 G, 116.0 mmol), room temperature reaction 6 h. Adding water steaming and remove the anhydrous ethanol (100 ml) and methylene chloride (100 ml), the standing liquid, organic phase dried with anhydrous sodium sulfate, rotary evaporated to remove the dichloromethane to obtain white solid [compound IIIc] 2.84 g, yield 81.0%. |
2.86 g | With acetic acid; zinc; In water; at 80℃; for 2h;Inert atmosphere; | In the gas flask purged with argon200mL three-necked flask was added 5.00g (15.2mmol) Compound 9, 991mg (152mmol) of zinc powder, 60mL acetic acid, 30 mL of water, stirred at 80 2 hours. After stirring, the reaction mixture was cooled to room temperature, filtered through Celite as a filter aid. The filtrate was neutralized with sodium bicarbonate, and the precipitated solid was recovered by filtration. The resulting solid was suspended in chloroform, the use of a pore size of 0.45mum filter made of polytetrafluoroethylene insolubles were filtered off, the solvent was distilled off the filtrate by an evaporator to give compound 43 2.86g as a light brown solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76.8% | With acetic acid at 40℃; for 12h; | 3.2 (2) To 250 ml single-port flask is sequentially added in the compound (IIIc) (3.0 g, 6 . 15 mmol), thiophene acyloin (1.0 g, 6 . 77 mmol) and glacial acetic acid (40 ml). The oil bath heated to 40 °C stirring reaction 12 h, filtered to get yellow solid. Ethanol recrystallize to get yellow needle-like solid compound (IVc) 2.31 g, yield 76.8%. |
68% | With toluene-4-sulfonic acid In methanol for 15h; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
59% | Stage #1: 3,6-dibromo-4,5-difluoro-1,2-phenylenediamine With acetic acid at 50℃; for 4h; Stage #2: 1,2-bis(3-(hexyloxy)phenyl)ethane-1,2-dione for 8h; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Reflux; Inert atmosphere 3.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 12 h / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 24 h / Reflux; Inert atmosphere 3.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 8 h / 30 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Reflux; Inert atmosphere 3.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 12 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 24 h / Reflux; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Reflux; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: acetic acid / 4 h / 50 °C 1.2: 8 h / Reflux 2.1: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Reflux; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | Stage #1: 3,6-dibromo-4,5-difluoro-1,2-phenylenediamine; 1,2-bis(4-((2-ethylhexyl)oxy)-3-fluorophenyl)ethane-1,2-dione With acetic acid at 60 - 120℃; for 4h; Stage #2: at 80℃; for 10h; | |
With acetic acid at 60 - 120℃; Inert atmosphere; | 1.d Example 1 d) Intermediate 3 (0.645g, 2.1mmol) dissolved in 80mL acetic acid was placed in a three-necked flask. Charge and discharge gas three times with argon gas. At 60°C, with a constant pressure dropping funnel, 30mL acetic acid mixed with Intermediate 2 (0.91g, 1.8mmol) was added. After the addition, the reaction was continued for an hour. The reaction temperature was then set to 120°C and was reacted for 3h. The reaction was then set at 90°C overnight. The reaction was then stopped and cooled to room temperature. The mixture was poured into ice water. The mixture was extracted with methylene chloride. The organic phase was washed three times to remove water-soluble impurities and unreacted starting materials completely. Rotary evaporator and spin dry solvent. The resulting Intermediate 4 by thin layer chromatography and material control after running board to determine the polarity of the wetted point, DCM: PE = 1: 7 through the column. H-NMR confirm Intermediate 4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: thionyl chloride; pyridine / 6 h / 0 - 25 °C 2.1: iron / 1 h / 90 °C 2.2: 38 h / 90 °C 3.1: zinc; acetic acid / water / 2 h / 80 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
816 mg | In ethanol for 40h; Inert atmosphere; Reflux; | 41 Example 41(Synthesis of Compound 44) In the gas flask purged with argon100mL three-necked flask were added816mg4,4'- difluoro-dibenzoyl,1000mg compound 43,25mL ethanol,Ethanol was stirred at reflux temperature for 40 hours.The reaction mixture was cooled to room temperature, the solvent was distilled off. The precipitated solid was eluted on a silica gel column, using a silica gel column with a volume ratio of hexane and ethyl acetate in a volume of 5 or manner of mixed hexane and ethyl acetate mixed solvent as a developing solvent. The eluate with an evaporator to dryness to give the crude product 2.32g. Then, 80mL of 2-propanol were used crude product was recrystallized to give compound 44 816mg. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / 60 - 120 °C / Inert atmosphere 2: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Inert atmosphere; Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 60 - 120 °C / Inert atmosphere 2: bis-triphenylphosphine-palladium(II) chloride / toluene / 48 h / Inert atmosphere; Reflux 3: N-Bromosuccinimide / N,N-dimethyl-formamide / 20 °C / Darkness |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With acetic acid In ethanol at 80℃; for 24h; | 2 Preparation of 5,8-dibromo-6,7-difluoro-2,3-bis (4- (octyloxy) phenyl) quinoxaline (Compound 1) To a 250 mL round-bottomed flask equipped with a condenser was added 3,6-dibromo-4,5-difluorobenzene-1,2-diamine (1.00 g, 1.30 mmol) and 1,2-bis (4- (octyloxy)-2-dione (1.55 g, 1.30 mmol), add 60 mL of ethanol and 20 mL of acetic acid, and stir at 80 ° C for 24 hours. After completion of the reaction, fractional distillation is carried out through MC (methylene chloride), the remaining water is removed with anhydrous magnesium sulfate, the solvent is evaporated,Recrystallization from MC (methylene chloride) and methanol gave 5,8-dibromo-6,7-difluoro-2,3-bis (4- (octyloxy) phenyl) quinoxaline as yellow solid (Compound 1). (Yield: 95%). 1H NMR (300 MHz, CDCl3,PPM): δ 7.64 (d, 4H), 6.89 (d, 4H), 3.98 (t, 4H), 1.79 (m, 4H), 1.45-1.29 (m, 20H), 0.88 (t, 6H).13C NMR (75 MHz, CDCl3,PPM): δ 160.8, 159.9, 158.5, 140.9, 130.8, 124.9, 120.7, 104.5, 70.1, 39.1, 30.4, 29.8, 27.2, 22.7, 14.1. Anal. calcd for C36H42N2: C, 59.03; H, 5.78; N, 3.82. Found: C, 58.88; H, 5.69; N, 4.01. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / ethanol / 24 h / 80 °C 2: palladium complex / tetrahydrofuran / 12 h / 100 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / ethanol / 24 h / 80 °C 2: palladium complex / tetrahydrofuran / 12 h / 100 °C 3: N-Bromosuccinimide / 3 h / 0 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: triethylamine; thionyl chloride / dichloromethane / 25 h / 0 - 70 °C 2: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 100 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: triethylamine; thionyl chloride / dichloromethane / 6 h / 20 - 46 °C 2: Pd catalyst / toluene / 24 h / 110 °C / Inert atmosphere 3: acetic acid; N-Bromosuccinimide / chloroform / 24 h / 0 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63.9% | With acetic acid at 60 - 120℃; Inert atmosphere; | 1.d Compound 5 (0.645 g, 2.1 mmol) was dissolved in 80 mL of acetic acid and placed in a three-necked flask, purged with gas three times, under argon protection. A mixture of 30 mL of acetic acid and compound 3 (0.97 g, 1.8 mmol) was added dropwise with a constant pressure dropping funnel at 60 ° C. After completion of the dropwise addition, the reaction was continued for one hour and the reaction temperature was set at 120 ° C for 3 h. The temperature was set at 90 ° C overnight. The reaction was stopped and cooled to room temperature. The mixture was poured into ice water and the mixture was extracted with methylene chloride. The organic phase was washed with water three times to remove water-soluble impurities and unreacted complete raw materials. The rotary product was spin- Chromatography and raw materials after running the board to determine the polarity and contact points, DCM: PE = 1: 7 over the column. Nuclear magnetic resonance spectroscopy confirmed product 6. (0.93 g, yield: 63.9%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 60 - 120 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium(0) / toluene / 48 h / Reflux; Inert atmosphere 3: N-Bromosuccinimide / N,N-dimethyl-formamide / 20 °C / Darkness |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 90 °C 2: bis-triphenylphosphine-palladium(II) chloride / 110 °C 3: N-Bromosuccinimide / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 90 °C 2: bis-triphenylphosphine-palladium(II) chloride / 110 °C 3: N-Bromosuccinimide / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With acetic acid at 90℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With acetic acid at 90℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
73.7% | With acetic acid at 60 - 120℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
3.7 g | With acetic acid at 100℃; | |
With acetic acid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | With acetic acid at 100℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid / 100 °C 2: sodium hydroxide / tetrahydrofuran / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid / 100 °C 2: sodium hydroxide / tetrahydrofuran / 20 °C 3: acetyl chloride / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: acetic acid / 100 °C 2.1: sodium hydroxide / tetrahydrofuran / 20 °C 3.1: acetyl chloride / Reflux 4.1: acetonitrile / 20 °C 4.2: 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: acetic acid 2: bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: acetic acid 2: bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide 3: N-Bromosuccinimide / thiophene |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87.5% | With acetic acid at 60 - 120℃; Inert atmosphere; | 1.1.4 4) Put compound 6 (4.6mmol) and 100ml of acetic acid in a three-necked bottle,Put compound 4 (4mmol) and 60ml of acetic acid into a constant pressure dropping funnel, under Ar gas, drip at 60 , after the drip is completed, reflux at 120 for 2 ~ 3hThen react overnight at 90 ° C,Compound 7 (3.5 mmol) was obtained with a yield of 87.5%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83.2% | With selenium(IV) oxide In ethanol; water Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With iron; acetic acid at 125℃; for 12h; Inert atmosphere; | 1.S3; 2.S3; 3.S3; 4.S3; 5.S3; 6.S3; 7.S3; 9.S3 S3. Preparation of intermediate α: 3,6-dibromobenzene-4,5-difluoro-1,2-phenylenediamine (1g), acenaphthylenequinone (0.72g), iron powder (1.8g) and acetic acid (30mL) were added to a 100mL double neck circle In the bottom flask, stirred and heated to 125°C under nitrogen protection, and reacted for 12h.After the reaction was completed, it was cooled to room temperature, the mixture in the double-necked round-bottomed flask was placed in a Buchner funnel with filter paper, the filter residue was washed with water and ethanol, and then the filter residue was further washed with dichloromethane, and the brown solid α was collected. was 1.3 g (87% yield); |
Tags: 1345627-73-7 synthesis path| 1345627-73-7 SDS| 1345627-73-7 COA| 1345627-73-7 purity| 1345627-73-7 application| 1345627-73-7 NMR| 1345627-73-7 COA| 1345627-73-7 structure
[ 1455435-87-6 ]
2,5-Dibromo-3,4-difluoroaniline
Similarity: 0.95
[ 1257535-06-0 ]
3-Bromo-4-fluorobenzene-1,2-diamine
Similarity: 0.93
[ 1000574-69-5 ]
2,6-Dibromo-3,4-difluoroaniline
Similarity: 0.90
[ 1455435-87-6 ]
2,5-Dibromo-3,4-difluoroaniline
Similarity: 0.95
[ 1257535-06-0 ]
3-Bromo-4-fluorobenzene-1,2-diamine
Similarity: 0.93
[ 1000574-69-5 ]
2,6-Dibromo-3,4-difluoroaniline
Similarity: 0.90
[ 1455435-87-6 ]
2,5-Dibromo-3,4-difluoroaniline
Similarity: 0.95
[ 1257535-06-0 ]
3-Bromo-4-fluorobenzene-1,2-diamine
Similarity: 0.93
[ 1000574-69-5 ]
2,6-Dibromo-3,4-difluoroaniline
Similarity: 0.90
[ 1455435-87-6 ]
2,5-Dibromo-3,4-difluoroaniline
Similarity: 0.95
[ 1257535-06-0 ]
3-Bromo-4-fluorobenzene-1,2-diamine
Similarity: 0.93
[ 1000574-69-5 ]
2,6-Dibromo-3,4-difluoroaniline
Similarity: 0.90
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
Home
* Country/Region
* Quantity Required :
* Cat. No.:
* CAS No :
* Product Name :
* Additional Information :