There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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) ]} | Inquiry {[ 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. : | 657-64-7 | MDL No. : | MFCD11847628 |
Formula : | C8H5Br2F3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QXNLLMCGCALGBW-UHFFFAOYSA-N |
M.W : | 317.93 | Pubchem ID : | 14949936 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 51.98 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.36 cm/s |
Log Po/w (iLOGP) : | 2.6 |
Log Po/w (XLOGP3) : | 4.06 |
Log Po/w (WLOGP) : | 5.36 |
Log Po/w (MLOGP) : | 4.81 |
Log Po/w (SILICOS-IT) : | 4.53 |
Consensus Log Po/w : | 4.27 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.58 |
Solubility : | 0.00839 mg/ml ; 0.0000264 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -3.76 |
Solubility : | 0.0547 mg/ml ; 0.000172 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -5.37 |
Solubility : | 0.00135 mg/ml ; 0.00000424 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.07 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 1760 |
Hazard Statements: | H302-H314 | Packing Group: | Ⅲ |
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 |
---|---|---|
57.4% | With magnesium In tetrahydrofuran |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | With bromine; iron In dichloromethane for 24h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With copper(I) bromide; sodium nitrite; In hydrogen bromide; | 2-bromo-4-trifluoromethylbenzyl bromide as a mobile yellow oil from 2-bromo-4-trifluoromethyltoluene. 2-methyl-5-trifluoromethylaniline (10.1 g) was dissolved in hydrobromic acid (50%; 50 ml) and treated with sodium nitrite (2.8 g) at 0-5 C. The diazonium solution was treated with cuprous bromide (8.6 g) dissolved in hydrobromic acid (50 ml) and the solution was allowed to warm to ambient temperature and was steam distilled. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
REFERENCE EXAMPLE 11 By proceeding in a similar manner to that hereinbefore described in Reference Example 10 but replacing 2,3,5,6-tetrachloro-4-trifluoromethylthiobenzyl bromide with the following starting material there was prepared: 2-bromo-4-trifluoromethylbenzaldehyde as a mobile yellow oil [NMR (CDCl3) chemical shift 7.5-8.2 ppm (multiplet, 3H); 10.3 ppm (s, 1H)] from 2-bromo-4-trifluoromethylbenzyl bromide. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1 Preparation of 1-Amino-6-trifluoromethylindane A solution of 23.9 g. of 2-bromo-4-trifluoromethyltoluene and 19.6 g. of N-bromosuccinimide was prepared in 285 ml. of carbon tetrachloride. The reaction mixture was irradiated with ultraviolet light for about 4 hours while being heated to reflux. The reaction mixture was then cooled to below 10° C. and the succinimide by-product removed by filtration. The organic layer was washed with water and then dried. Evaporation yielded 31.3 g. of a yellow oil containing 2-bromo-4-trifluoromethylbenzylbromide formed in the above reaction. The compound was dissolved without further purification in 50 ml. of dry benzene. This solution was added in dropwise fashion to a sodium malonic ester solution prepared as follows: |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97% | With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 70℃; for 5h;Inert atmosphere; | A mixture of <strong>[66417-30-9]2-bromo-1-methyl-4-(trifluoromethyl)benzene</strong> (5.5 g, 23.0 mmol, CAS RN 128-08-5), benzoyl peroxide (835 mg, 3.45 mmol) and NBS (4.07 g, 23.01 mmol) in CC4 (50.0 mL,23.0 mmol) was stirred at 70 C for 5 h. The mixture was poured into water (20 mL) andextracted twice with DCM (20 mL each). The combined organic layer was washed with brine(20 mL), dried over Na2SO4, filtered and concentrated in vacuum to give the desired compoundas light yellow oil which was used in the next step without further purification (7.1 g, 97%). |
With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; for 16h;Reflux; | STEP B: 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene Solid benzoyl peroxide (1.5 g, 6.3 mmol) was added to a benzene solution (200 mL) of <strong>[66417-30-9]2-bromo-1-methyl-4-(trifluoromethyl)benzene</strong> (10.0 g, 41.8 mmol) and NBS (8.2 g, 46.0 mmol) and the resulting mixture was refluxed. After 16 h the resulting mixture was cooled, diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. | |
With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; for 16h;Reflux; | Solid benzoyl peroxide (1.5 g, 6.3 mmol) was added to a benzene solution (200 mL) of <strong>[66417-30-9]2-bromo-1-methyl-4-(trifluoromethyl)benzene</strong> (10.0 g, 41.8 mmol) and NBS (8.2 g, 46.0 mmol) and the resulting mixture was refluxed. After 16 h the resulting mixture was cooled, diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / 1,4-dioxane; water / 16 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; | 1.C STEP C: N-(2-bromo-4-(trifluoromethyl)benzyl)-2,4'-dichloro-2'-methyl-[1,1'-biphenyl]-4-amine 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (2.0 g, 6.3 mmol), 2,4'-dichloro-2'-methyl-[1,1'-biphenyl]-4-amine (1.7 g, 6.9 mmol), and K2CO3 (1.3 g, 9.4 mmol) were diluted with DMF (20 mL) and heated to 80° C. After 3 h the resulting mixture was diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. | |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; | 34.C 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (2.0 g, 6.3 mmol), 2,4'-dichloro-2'-methyl-[1,1'-biphenyl]-4-amine (1.7 g, 6.9 mmol), and K2CO3 (1.3 g, 9.4 mmol) were diluted with DMF (20 mL) and heated to 80° C. After 3 h the resulting mixture was diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C 4: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 16 h / 45 °C 5: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C 4: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 16 h / 45 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C 4: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 16 h / 45 °C 5: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C 4: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 16 h / 45 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; | 6.A STEP A: N-(2-bromo-4-(trifluoromethyl)benzyl)-2-chloro-2'-methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine; 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene, prepared as described in Example 1 (2.5 g, 7.9 mmol), 2-chloro-2'-methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine, prepared as described in Example 2 (2.5 g, 8.7 mmol), and K2CO3 (1.6 g, 11.8 mmol) were diluted with DMF (20 mL) and heated to 80° C. After 3 h the resulting mixture was diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. | |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; | 43.B 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene, prepared as described in Example 34 (2.5 g, 7.9 mmol), 2-chloro-2'-methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine (2.5 g, 8.7 mmol), and K2CO3 (1.6 g, 11.8 mmol) were diluted with DMF (20 mL) and heated to 80° C. After 3 h the resulting mixture was diluted with EtOAc, washed with water and brine, dried (Na2SO4), and dry packed onto silica gel. Column chromatography yielded the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / 1,4-dioxane; water / 16 h / 80 °C 3: sodium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / 1,4-dioxane; water / 16 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran; diethyl ether at 0 - 80℃; for 3h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: tetrahydrofuran; diethyl ether / 3 h / 0 - 80 °C / Inert atmosphere 2: 2-Nitrobenzenesulfonyl chloride; hydrazine hydrate / acetonitrile / 18 h / 0 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: tetrahydrofuran; diethyl ether / 3 h / 0 - 80 °C / Inert atmosphere 2.1: 2-Nitrobenzenesulfonyl chloride; hydrazine hydrate / acetonitrile / 18 h / 0 - 20 °C / Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 3.2: 24 h / -78 - 20 °C / Inert atmosphere; Glovebox 4.1: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin / tetrahydrofuran / 18 h / 80 °C / Inert atmosphere; Glovebox |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; diethyl ether / 3 h / 0 - 80 °C / Inert atmosphere 2.1: 2-Nitrobenzenesulfonyl chloride; hydrazine hydrate / acetonitrile / 18 h / 0 - 20 °C / Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 3.2: 24 h / -78 - 20 °C / Inert atmosphere; Glovebox |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
0.200 g | With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h; | 25 (S)-Ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(((2-bromo-4-(trifluoromethyl)benzyl)oxy)methyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate To a solution of (S)-ethyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(hydroxymethyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate (0.200 g, 0.421 mmol) and 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (0.268 g, 0.843 mmol) in DMF (1 mL) was added sodium hydride (0.051 g, 1.264 mmol). The mixture was stirred at rt. After 30 min, the reaction was quenched with water and extracted with EtOAc (3x's). The organic phases were combined and washed with brine, dried, filtered and concentrated. The residue was purified by flash chromatography (Biotage; 0%-100% EtOAc/hexane; 25 CV) to give the title compound (0.200 g, 0.281 mmol, 66.7% yield) as a colorless oil. 1H NMR (400 MHz, CDCl3) δ 7.81 (d, J=0.7 Hz, 1H), 7.73 (d, J=8.1 Hz, 1H), 7.59 (dd, J=8.6, 1.0 Hz, 1H), 6.59 (s, 1H), 6.02 (ddt, J=17.0, 10.4, 5.1 Hz, 1H), 5.95-5.85 (m, 1H), 5.53-5.39 (m, 1H), 5.19 (dd, J=10.5, 1.7 Hz, 1H), 4.87 (s, 2H), 4.77 (s, 2H), 4.30-4.14 (m, 2H), 4.02 (d, J=5.1 Hz, 2H), 2.62 (s, 3H), 2.06-1.61 (m, 3H), 1.35 (s, 3H), 1.25 (s, 12H) 5 piperidine protons not visible. LCMS (M+H) calcd for C33H43BrF3N4O5: 712.33. found: 713.4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C 2: triethylamine; tris-(dibenzylideneacetone)dipalladium(0); triphenylphosphine / acetonitrile / 23 h / 120 °C / Inert atmosphere; Sealed tube |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C 2: triethylamine; tris-(dibenzylideneacetone)dipalladium(0); triphenylphosphine / acetonitrile / 23 h / 120 °C / Inert atmosphere; Sealed tube 3: sodium hydroxide; methanol / 1,4-dioxane / 0.75 h / 70 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | Stage #1: ethyl 2-cyanoacetate With potassium carbonate In acetonitrile at 20℃; for 0.5h; Stage #2: 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene In acetonitrile at 20℃; Stage #3: With sodium tetrahydroborate In ethanol at 0 - 20℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetonitrile / 0.5 h / 20 °C 1.2: 20 °C 1.3: 12 h / 0 - 20 °C 2.1: copper(l) iodide; caesium carbonate; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane / 1,4-dioxane / 24 h / 10 °C / Glovebox; Schlenk technique |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 6 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum (IV) oxide / ethyl acetate / 12 h / 20 °C / Inert atmosphere 5.1: trifluoroacetic acid / dichloromethane / 12 h / 20 °C / Inert atmosphere 6.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 0.75 h / 140 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum (IV) oxide / ethyl acetate / 12 h / 20 °C / Inert atmosphere 5.1: trifluoroacetic acid / dichloromethane / 12 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum(IV) oxide / ethyl acetate / 12 h / 20 °C / 1520 Torr 5.1: trifluoroacetic acid / dichloromethane / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: sodium carbonate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; nickel dichloride; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / N,N-dimethyl-formamide; 1,2-dimethoxyethane / 16.33 h / 25 °C / Inert atmosphere; Irradiation 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 12 h / 20 °C | ||
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: sodium carbonate; (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / 16 h / 25 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: sodium carbonate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; nickel dichloride; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / N,N-dimethyl-formamide; 1,2-dimethoxyethane / 16.33 h / 25 °C / Inert atmosphere; Irradiation 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 12 h / 20 °C 5.1: hydrogenchloride / ethyl acetate / 12 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: sodium carbonate; (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / 16 h / 25 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 12 h / 20 °C 5.1: hydrogenchloride / ethyl acetate / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: sodium carbonate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; nickel dichloride; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / N,N-dimethyl-formamide; 1,2-dimethoxyethane / 16.33 h / 25 °C / Inert atmosphere; Irradiation | ||
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: sodium carbonate; (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; tris-(trimethylsilyl)silane / 16 h / 25 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 30 °C | ||
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 30 °C / 1520 Torr |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 30 °C 5.1: dichloromethane / 15 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 30 °C / 1520 Torr 5.1: dichloromethane / 15 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C | ||
Multi-step reaction with 2 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum (IV) oxide / ethyl acetate / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum (IV) oxide / ethyl acetate / 12 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C / Inert atmosphere 4.1: hydrogen; platinum(IV) oxide / ethyl acetate / 12 h / 20 °C / 1520 Torr |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 12 h / 20 °C 3.1: potassium <i>tert</i>-butylate; ruphos; palladium diacetate / toluene / 15 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium <i>tert</i>-butylate; ruphos; palladium diacetate / toluene / 15 h / 80 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / methanol / 1 h / 20 °C 5.1: hydrogenchloride / methanol / 1 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere 4.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 12 h / 20 - 50 °C 5.1: dichloromethane / 12 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 5 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere 4.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 12 h / 20 °C 5.1: dichloromethane / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 2 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere | ||
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere 4.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 12 h / 20 - 50 °C | ||
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C 3.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere 4.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere 3.1: hydrogen; palladium 10% on activated carbon; magnesium oxide / ethyl acetate / 1 h / 25 °C 4.1: dichloromethane / 12 h / 20 °C / Inert atmosphere | ||
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C 3.1: hydrogen; palladium 10% on activated carbon; magnesium oxide / ethyl acetate / 1 h / 25 °C 4.1: dichloromethane / 12 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C / Inert atmosphere 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere 2.2: 11 h / 20 °C / Inert atmosphere 3.1: hydrogen; palladium 10% on activated carbon; magnesium oxide / ethyl acetate / 1 h / 25 °C | ||
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 2.2: 11 h / 20 °C 3.1: hydrogen; palladium 10% on activated carbon; magnesium oxide / ethyl acetate / 1 h / 25 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95.5% | at 155℃; for 5h; Inert atmosphere; | b Step b) 2-Bromo-1-(diethoxyphosphoiylmethyl)-4-(trifluoromethyl)benzene A mixture of 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (7.1 g, 22.3 mmol) and triethyl phosphite (30 mL) was stirred at 155 °C for 5 h. The mixture was concentrated invacuum to remove triethyl phosphite, the residue was diluted with water (100 mL) and extracted three times with EtOAc (100 mL each). The combined organic layers were washed with brine (100 mL), dried over Na2504, filtered and concentrated under vacuum. The residue was purified by column chromatography (PE : EtOAc = 100: ito 10:1) to give the compound as light yellow oil which was used without further purification in the next step (8 g, 95.5%). |
95.5% | at 155℃; for 5h; | b Step b) 2-Bromo-l-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene A mixture of 2-bromo-l-(bromomethyl)-4-(trifluoromethyl)benzene (7.1 g, 22.3 mmol) and triethyl phosphite (30 mL) was stirred at 155 °C for 5 h. The mixture was concentrated in vacuum to remove triethyl phosphite, the residue was diluted with water (100 mL) and extracted three times with EtOAc (100 mL each). The combined organic layers were washed with brine (100 mL), dried over Na^SCb, filtered and concentrated under vacuum. The residue was purified by column chromatography (PE : EtOAc = 100 : 1 to 10: 1) to give the compound as light yellow oil which was used without further purification in the next step (8 g, 95.5%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 6 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide; water / 12 h / 80 °C 4.1: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 30 °C / 1520 Torr 5.1: dichloromethane / 15 h / 20 °C 6.1: triethylamine / N,N-dimethyl-formamide / 18 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium <i>tert</i>-butylate; ruphos; palladium diacetate / toluene / 15 h / 80 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / methanol / 1 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium <i>tert</i>-butylate; ruphos; palladium diacetate / toluene / 15 h / 80 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 6 steps 1.1: 5 h / 155 °C 2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C 2.2: 12 h / 20 °C 3.1: potassium <i>tert</i>-butylate; ruphos; palladium diacetate / toluene / 15 h / 80 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / methanol / 1 h / 20 °C 5.1: hydrogenchloride / methanol / 1 h / 20 °C 6.1: sodium hydrogencarbonate / dichloromethane / 20 °C 6.2: 4.5 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96.3% | With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 25℃; for 12.0h; | To a solution of <strong>[497959-33-8][2-bromo-4-(trifluoromethyl)phenyl]methanol</strong> (500.0 mg, 1.96 mmol, CAS RN 497959-33-8) and PPh3 (770.5 mg, 2.94 mmol) in THF (10 mL) was added carbon tetrabromide (975.3 mg, 2.94 mmol), and the mixture was stirred at 25 C for 12 h. The reaction was concentrated in vacuum and the residue was purified by silica gel column chromatography (PE : EA = 0 : 1~20 : 1) to yield the desired product as colorless oil (600 mg, 96.3% yield). H NMR (400 MHz, CHLOROFORM-d) d = 7.78 (s, 1H), 7.55 - 7.46 (m, 2H), 4.53 (s, 2H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.61 g | Stage #1: phenol With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene In N,N-dimethyl-formamide at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 0.17 h 1.2: 20 °C 2.1: potassium <i>tert</i>-butylate / N,N-dimethyl-formamide / 4.5 h / 50 °C / Schlenk technique; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; iodine / tetrahydrofuran / 0 °C 2: triphenylphosphine; carbon tetrabromide / dichloromethane / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 4-carbethoxy-3-methyl-2-cyclohexen-1-one With potassium <i>tert</i>-butylate In <i>tert</i>-butyl alcohol for 0.25h; Inert atmosphere; Stage #2: 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene In <i>tert</i>-butyl alcohol Reflux; Inert atmosphere; |
Tags: 657-64-7 synthesis path| 657-64-7 SDS| 657-64-7 COA| 657-64-7 purity| 657-64-7 application| 657-64-7 NMR| 657-64-7 COA| 657-64-7 structure
[ 886496-63-5 ]
1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Similarity: 0.97
[ 372120-77-9 ]
2-Bromo-4-(bromomethyl)-1-(trifluoromethyl)benzene
Similarity: 0.95
[ 1214372-35-6 ]
2-Bromo-1-(bromomethyl)-3-(trifluoromethyl)benzene
Similarity: 0.95
[ 1261441-93-3 ]
1-Bromo-2-(bromomethyl)-4-(difluoromethyl)benzene
Similarity: 0.92
[ 886496-63-5 ]
1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Similarity: 0.97
[ 372120-77-9 ]
2-Bromo-4-(bromomethyl)-1-(trifluoromethyl)benzene
Similarity: 0.95
[ 1214372-35-6 ]
2-Bromo-1-(bromomethyl)-3-(trifluoromethyl)benzene
Similarity: 0.95
[ 1261441-93-3 ]
1-Bromo-2-(bromomethyl)-4-(difluoromethyl)benzene
Similarity: 0.92
[ 886496-63-5 ]
1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Similarity: 0.97
[ 372120-77-9 ]
2-Bromo-4-(bromomethyl)-1-(trifluoromethyl)benzene
Similarity: 0.95
[ 1214372-35-6 ]
2-Bromo-1-(bromomethyl)-3-(trifluoromethyl)benzene
Similarity: 0.95
[ 1261441-93-3 ]
1-Bromo-2-(bromomethyl)-4-(difluoromethyl)benzene
Similarity: 0.92
[ 886496-63-5 ]
1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Similarity: 0.97
[ 372120-77-9 ]
2-Bromo-4-(bromomethyl)-1-(trifluoromethyl)benzene
Similarity: 0.95
[ 1214372-35-6 ]
2-Bromo-1-(bromomethyl)-3-(trifluoromethyl)benzene
Similarity: 0.95
[ 1261441-93-3 ]
1-Bromo-2-(bromomethyl)-4-(difluoromethyl)benzene
Similarity: 0.92
[ 886496-63-5 ]
1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Similarity: 0.97
[ 372120-77-9 ]
2-Bromo-4-(bromomethyl)-1-(trifluoromethyl)benzene
Similarity: 0.95
[ 1214372-35-6 ]
2-Bromo-1-(bromomethyl)-3-(trifluoromethyl)benzene
Similarity: 0.95
[ 69902-84-7 ]
1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene
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 :