Introduction：Basic information about 3-Bromobenzotrifluoride CAS 401-78-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Bromobenzotrifluoride Basic information
| Product Name: | 3-Bromobenzotrifluoride |
| Synonyms: | 3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;3-BROMOTRIFLUOROTOLUENE;3-BROMO-1-TRIFLUOROMETHYLBENZENE;M-BROMOBENZOTRIFLUORIDE;M-BROMO-A,A,A-TRIFLUOROTOLUENE;M-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;M-BROMOTRIFLUOROTOLUENE;alpha,alpha,alpha-trifluoro-3-bromo-toluen |
| CAS: | 401-78-5 |
| MF: | C7H4BrF3 |
| MW: | 225.01 |
| EINECS: | 206-932-6 |
| Product Categories: | alkyl bromide;Pyridines;Miscellaneous;Bromine Compounds;Fluorine Compounds;Fluorobenzene;Aromatic Hydrocarbons (substituted) & Derivatives;Trifluoromethylbenzene serise;bc0001 |
| Mol File: | 401-78-5.mol |
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3-Bromobenzotrifluoride Chemical Properties
| Melting point | 1°C |
| Boiling point | 151-152 °C(lit.) |
| density | 1.613 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.473(lit.) |
| Fp | 110 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Specific Gravity | 1.613 |
| BRN | 1449557 |
| InChI | InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
| InChIKey | NNMBNYHMJRJUBC-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 401-78-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-bromo-3-(trifluoromethyl)-(401-78-5) |
| EPA Substance Registry System | 3-Bromobenzotrifluoride (401-78-5) |
Safety Information
| Hazard Codes | Xi,F |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 23-24/25-37/39-26-16-36 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | XS7970000 |
| Hazard Note | Flammable |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29036990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 3 |
3-Bromobenzotrifluoride Usage And Synthesis
| Chemical Properties | CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID |
| Uses | 1-Bromo-3-(trifluoromethyl)benzene is used in the synthesis of calcium channel inhibitors for inflammatory and neuropathic pain. |
3-Bromobenzotrifluoride Preparation Products And Raw materials
| Raw materials | Bromine-->Cuprous bromide-->Benzotrifluoride-->3-Aminobenzotrifluoride |
| Preparation Products | FENFLURAMINE-->1-BENZYL-4-HYDROXY-4-(3-TRIFLUOROTOLYL)PIPERIDINOL-->4-(3-Trifuoromethyl)phenyl-4-piperidinol-->3-(3-(Trifluoromethyl)phenyl)propan-1-ol-->2-Amino-5-bromobenzotrifluoride-->3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER-->METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE-->3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE-->3-（trifluoromethyl) Cinnamaldehyde-->3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propanaMide-->5-BROMO-2-IODOBENZOTRIFLUORIDE-->3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER |
