Structure of 57848-46-1
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CAS No. : | 57848-46-1 |
Formula : | C7H4BrFO |
M.W : | 203.01 |
SMILES Code : | C1=CC(=CC(=C1C=O)F)Br |
MDL No. : | MFCD00143261 |
InChI Key : | UPCARQPLANFGQJ-UHFFFAOYSA-N |
Pubchem ID : | 143517 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 10 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.0 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 2.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 39.49 |
TPSA ? Topological Polar Surface Area: Calculated from |
17.07 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.84 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.76 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
2.82 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
2.63 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
3.08 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
2.63 |
Log S (ESOL):? ESOL: Topological method implemented from |
-3.22 |
Solubility | 0.124 mg/ml ; 0.000609 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.77 |
Solubility | 0.342 mg/ml ; 0.00168 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.48 |
Solubility | 0.0668 mg/ml ; 0.000329 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
Yes |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-5.58 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
1.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.14 |
* 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 |
---|---|---|
94% | With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 15.0h; | General procedure: To a stirred solution of compound 1a-1n (9.90 mmol) in DMF (20 mL) were added methyl thioglycolate (10.9 mmol) and potassium carbonate (39.6 mmol). The resulting mixture was stirred at 60 C for 15 h. The DMF was removed under reduced pressure,water (50 mL) was added and the mixture was extracted with ethylacetate (2 x 40 mL). The combined organic layers were dried withsodium sulfate, filtered, and the solvents were removed under reduced pressure to afford the title compound 2a-2n [31,34]. |
94% | With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0℃; for 1.0h; | Add 4--bromo-2--fluorobenzaldehyde (100g, 493mmol) and2--methyl thioglycolate(120g, 1.13mol) was dissolved in DMF (1.0L), sodium hydride (59.2g, 1.48mol, 60%) was added at 0 C, and after stirring for 1 hour, ice water (2.0L) was added.It was extracted 4 times with ethyl acetate (1.0 L), and the organic layers were combined and washed once with a saturated sodium chloride solution.The solvent was distilled off under reduced pressure and subjected to column chromatography (PE: EA = 100: 1).Purification gave compound 1 (125 g, yield 94%). |
92% | With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 15.0h; | General procedure: To a stirred solution of compound 1a or 1b(9.90 mmol)in DMF(20 mL) was added methyl thioglycolate (10.9 mmol) and potassiumcarbonate (39.6 mmol). The resulting mixture was stirred at60 C for 15 h. The DMF was removed under reduced pressure,water (50 mL) was added and the mixture was extracted with ethylacetate (2 x 40 mL). The combined organic layers were dried withsodium sulfate, filtered, and the solvents were removed underreduced pressure to afford the title compound 2a or 2b. |
90% | TEA (1.29g, 12.85mmol) and mercapto-acetic acid methyl ester (1.14 g, 10.83mmol) were added to acetonitrile (50mL) previously purged with argon (10 minute). This was followed by the addition of 4-bromo-2-fluoro-benzaldehyde (2g, 9.852mmol) and the resulting mixture was heated to reflux at 85C overnight. The reaction was monitored by TLC (20% ethyl acetate in hexane). The reaction mixture was cooled, concentrated, basified with 10%NaOH solution and extracted with ethyl acetate to afford the crude product. Purification by column chromatography on silica gel (5% ethyl acetate in hexane) afforded 2.4g of the product (90% yield).1H NMR (CDC13, 300 MHz): 88.18-8.0 (dd, 2H), 7.8-7.7 (d, 1H), 7.65-7.59 (dd, 1H), 4.1-4.0 (s, 3H). | |
64.8% | With triethylamine; In dimethyl sulfoxide; at 80℃; for 3.0h; | 4-Bromo-2-fluorobenzaldehyde (808 mg, 4.00 mmol) was dissolved in dimethylsulfoxide (5.00 mL)Methyl mercaptoacetate (375 muL),Triethyl amine (1.5 mL) was added,And the mixture was stirred at 80 C. for 3 hours.20 mL of purified water was added, and the precipitated white solid was collected by filtration,And washed with purified water to obtain Compound 8 in a yield of 700 mg (yield 64.8%). |
61% | With potassium carbonate; In dimethyl sulfoxide; at 70℃; for 3.0h; | To a solution of 4-bromo-2-fluorobenzaldehyde (10 g, 49 mmol) and methyl 2- mercaptoacetate (7.8 g, 74 mmol) in dimethylsulfoxide (100 mL) was added potassium carbonate (13 g, 99 mmol) portionwise at room temperature. The resulting mixture was stirred at 70 C for 3 hours. On completion, the mixture was poured into ice-water, resulting in formation of a solid. The mixture was stirred for 30 min., and the solid was collected by filtration, washed with water and dried in vacuo. The residue was purified by silica gel chromatography [petroleum ether: ethyl acetate = 7: 1] to give compound B-110 (8.1 g, 61% yield) as a white solid. |
46% | With sodium hydride; | Ausgehend von 6. [54] [G] (32.2 mmol) 4-Brom-2-fluorbenzaldehyd werden mit 1.93 g [(48.] 3 mmol) Natriumhydrid (60%-ig in Paraffinoel) und 3.76 g (35.5 mmol) Mercaptoessigsaeuremethylester nach der allgemeinen Arbeitsvorshrift A 4.06 g (46 % d. Th. ) der Titelverbindung erhalten. 1H-NMR (200 MHz, [DMSO-D6)] : [6] = 8.42 (d, 1H), [8.] 22 (s, [1H),] 7.98 (d, [1H),] 7.65 (dd, 1H), 3. [90] (s, 3H). HPLC (Methode [1)] : Rt = 5.3 min. MS (ESIpos) : [M/Z] = 270 (M(+] |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
46.4% | 3.76 g (35.5 mmol) of methyl mercaptoacetate are slowly added dropwise to a suspension of 1.93 g (48.3 mmol) of sodium hydride (as 60% suspension in mineral oil) in 65 ml of DMSO at room temperature. After hydrogen evolution ceases, a solution of 6.54 g (32.2 mmol) of 4-bromo-2-fluorobenzaldehyde in 10 ml of DMSO is added. After 10 min, the reaction mixture is stirred into 200 ml of ice-water, and the resulting precipitate is isolated. The solid is washed twice with water and dried in vacuo at 50 C. 4.06 g (46.4% of theory) of the title compound are obtained. 1H-NMR (200 MHz, DMSO-d6): delta 8.42 (d, 1H), 8.22 (s, 1H), 7.98 (d, 1H), 7.65 (dd, 1H), 3.90 (s, 3H). HPLC (method 1): Rt=5.3 min. MS (ESIpos): m/z=270 (M+). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10% | With octasulfur; ammonia; In 2-methoxy-ethanol; at 160.0℃; for 18.0h; | E. 6-Bromobenzo[d]isothiazole. To a solution of 4-bromo-2-fluorobenzaldehyde (2.0 g, 9.85 mmol) in 2-methoxyethanol (10 mL) was added sulfur (316 mg, 9.85 mmol), and saturated aqueous ammonium hydroxide (10 mL). The materials were heated to 160 C. with stirring in a sealed reaction tube for 18 hours. The crude reaction was diluted with water and extracted three times with dichloromethane. The combined organic phases were dried over anhydrous sodium sulfate, filtered, and the volatiles evaporated. The residue was purified using chromatography on a normal phase silica gel column with 0 to 5% ethyl acetate in hexanes. Fractions containing clean product were combined and the solvent evaporated. The material was dried under vacuum at room temperature to give the title compound (211 mg, 10%). MS (ESI) m/z (214 and 216) [M+1]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With sodium acetate; pyridinium chlorochromate; In dichloromethane; at 20℃; for 2h; | To a solution of <strong>[222978-01-0](4-bromo-3-fluoro-phenyl)-methanol</strong> (7.9 g, 38.5 mmol) in dichloromethane (160.0 mL) was added sodium acetate (940 mg, 11.5 mmol) followed by pyridinium chlorochromate (10.8 g, 50.0 mmol) at room temperature. The reaction mixture was stirred at room temperature under light protection over a period of 2 h. The resulting reaction mixture was diluted with ethyl acetate (1.0 L) and filtered through celite pad. The filtrate obtained was washed with aqueous sodium bicarbonate (600 mL), water (600 mL) and dried over sodium sulphate. The crude product obtained upon evaporation of the solvent was further purified by column chromatography to give 4-bromo-2-fiuoro- benzaldehyde as white solid (5.0 g, 63%). |
63% | With sodium acetate; pyridinium chlorochromate; In dichloromethane; at 20℃; for 2h;light protection; | To a solution of <strong>[222978-01-0](4-bromo-3-fluoro-phenyl)-methanol</strong> (7.9 g, 38.5 mmol) in dichloromethane (160.0 mL) was added sodium acetate (940 mg, 11.5 mmol) followed by pyridinium chlorochromate (10.8 g, 50.0 mmol) at room temperature. The reaction mixture was stirred at room temperature under light protection over a period of 2 h. The resulting reaction mixture was diluted with ethyl acetate (1.0 L) and filtered through celite pad. The filtrate obtained was washed with aqueous sodium bicarbonate (600 mL), water (600 mL) and dried over sodium sulphate. The crude product obtained upon evaporation of the solvent was further purified by column chromatography to give 4-bromo-2-fluoro-benzaldehyde as white solid (5.0 g, 63%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With triethylamine; In dimethyl sulfoxide; at 80 - 90℃; for 2.0h; | The literature procedure of Fedi et al.2 was followed for the synthesis of 9. To a two-neck round bottom flask fitted with a condenser was added 4-bromo-2-fluorobenzaldehyde (14.8 g, 72.9 mmol) and DMSO (100 mL, anhydrous). Methyl thioglycolate (8 mL, 89.5 mmol) and triethylamine (30 mL, 215.2 mmol) were added and the reaction heated to 80-90 oC over 2 h. The reaction was allowed to cool before being poured into vigorously stirring ice-water (3500 mL). After 1 h of stirring, the solid was filtered and dried before recrystallization from ethanol (250 mL) to give pale yellow crystals (16.1 g, 81% yield), mp 113-115 oC. IR (thin-film, cm-1) 3012, 2952, 2913, 2849, 1717, 1510, 1434, 1384, 1307, 1259, 1168, 1090, 1060, 858, 803, 752, 713; 1H NMR (CDCl3) delta 8.013 (d, J = 1.5 Hz, 1H), 7.73 (d, J = 9.0 Hz, 1H), 7.51 (dd, J = 1.5, 9.0 Hz, 1H), 3.95 (s, 3H); 13C NMR (CDCl3) delta 163.0, 143.6, 137.5, 134.1, 130.3, 128.8, 126.7, 125.5, 121.4, 52.8. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethanol; at 60℃; for 0.5h; | General procedure: A mixture of corresponding hydrazinylpyridazine 1 or 5 (1 mmol) and aldehyde 2 (1.1 mmol) in ethanol (5 mL) was heated at 60 oC for 0.5 h. The formation of hydrazone was checked by TLC and the reaction mixture was cooled to rt. Oxone (1.5 mmol) was added to the mixture at rt followed by tetramethyl ammonium bromide (0.2 mmol) and the resulting mixture was heated at 60 oC for another 5 h. The mixture was cooled to rt and extracted with dichloromethane (2 × 25 mL), dried over anhydrous sodium sulphate and concentrated to obtain a residue which was purified by column chromatography using hexane/ethyl acetate as eluent to furnish the desired triazolopyridazines 4 and 7. | |
In ethanol; at 60℃; for 0.5h; | General procedure: A mixture of corresponding hydrazinylpyridazine 1 or 5 (1 mmol) and aldehyde 2 (1.1 mmol) in ethanol (5 mL) was heated at 60 C for 0.5 h. The formation of hydrazone was checked by TLC and the reaction mixture was cooled to rt. Oxone (1.5 mmol) was added to the mixture at rt followed by tetramethyl ammonium bromide (0.2 mmol) and the resulting mixture was heated at 60 C for another 5 h. The mixture was cooled to rt and extracted with dichloromethane (2 × 25 mL), dried over anhydrous sodium sulfate and concentrated to obtain a residue which was purified by column chromatography using hexane/ethyl acetate as eluent to furnish the desired triazolopyridazines 4 and 7 (See reference no; 7 for supporting information). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In ethanol; at 20℃; for 24h;Alkaline conditions; | General procedure: 2-Hydroxyacetophenone (0.005 mol) 1 and aldehyde 2 (0.005mol) were taken in 100 ml RBF with 25 ml ethanol. To this reaction 2 gm of NaOH/KOH was added and resulting reaction was stirred at room temperature for 24-36 hrs. Then contents were poured over crushed ice and acidify with Conc.HCl, solid thus obtained were seperated by filtration and crystallized from proper solvent to get compound 3. Their characterization data is given in the table |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With potassium hydroxide; In ethanol; at 20℃; for 24h; | General procedure: Compound 2 (0.005 mol) & 1 (0.005 mol)were taken in 100 ml RBF with 25 ml ethanol. To thisreaction 2 gm of KOH was added & resulting reactionwas stirred at room temperature for 24 hrs. Thencontents were poured over crushed ice & acidifiedwith conc. HCl, solid thus obtained were separatedby filtration & crystallized from ethanol to getcompound 3. Their characterization data is in thetable-1(3a-3e). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 85℃; for 13.0h;Inert atmosphere; | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde In a pressure tube reactor, 4-bromo-2-fluorobenzaldehyde (500 mg, 2.46 mmol) and 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane) (938 mg, 3.69 mmol) were added, and then Pd(dppf)2Cl2 (120 mg, 0.15 mmol) was added. dppf (78 mg, 0.15 mmol) and KOAC (965 mg, 9.84 mmol) were further added, and 1,4-dioxane (8 mL) was added, followed by stirring at 85 C. under nitrogen gas for 13 hours. When the reaction was completed, the reaction mixture was extracted two times or more with ethyl acetate and water, and the organic layer was treated with sodium sulfate to remove extra water. After concentration under reduced pressure, column chromatography using 20% ethyl acetate/hexane gave 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde with a yield of 96%. 1H-NMR (300 MHz, CDCl3) delta 10.38 (s, 1H), 7.85-7.81 (m, 1H), 7.67-7.65 (m, 1H), 7.57 (s, J=10.4 Hz, 1H), 1.35 (s, 12H) |
96% | With 1,1'-bis-(diphenylphosphino)ferrocene; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; potassium acetate; In 1,4-dioxane; water; at 85℃; for 13.0h;Inert atmosphere; | [0285] In a pressure tube reactor 4-Bromo-2-fluorobenzaldehyde (500 mg, 2.46 mmol) and 4,4,4 ', 4', 5,5,5 ', 5'-octamethyl-2,2'-bi (1,3,2-dioxaborolane) (938 mg, 3.69 mmol) was added thereto, Pd (dppf) 2Cl2 (120 mg, 0.15 mmol) was added, Dppf (78 mg, 0.15 mmol) and KOAC (965 mg, 9.84 mmol) were further added, 1.4-dioxane (8 mL) was added, 85 In the mixture was stirred for 13 hours. After the reaction was completed, the reaction mixture was extracted twice with ethyl acetate and water, and then the organic layer was washed with anhydrous magnesium sulfate to remove excess water. Concentrated under reduced pressure and subjected to column chromatography with 20% ethyl acetate / nucleic acid to obtain 2-fluoro-4- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzaldehyde Was obtained in 96% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
36% | General procedure: Trans-2-phenylcyclopropylamine hydrochloride (1.0 eq.), acetic acid (1.0eq.) and the appropriate aldehyde (0.9 eq.) were dissolved in around bottom flask in 10 mL dry DCE. The reaction mixture was stirred gently at room temperature for 2 h before sodium triacetoxyborohydride (3.0 eq.) was added in small portions to the reaction vessel. The reaction was monitored by TLC and quenched using 10 mL of an aqueous (5%) NaHCO3 solution. The organic layer was separated and the aqueous layer extracted three times with10 mL of DCE. All organic layers were combined, dried over anhydrous Na2SO4, concentrated in vacuo and purified using flash chromatography (silica gel; cyclohexane/ethyl acetate) to give the desired compound. |
Tags: 57848-46-1 synthesis path| 57848-46-1 SDS| 57848-46-1 COA| 57848-46-1 purity| 57848-46-1 application| 57848-46-1 NMR| 57848-46-1 COA| 57848-46-1 structure
A148232 [357405-75-5]
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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 |
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