Introduction：Basic information about 3-Amino-5-bromobenzotrifluoride CAS 54962-75-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Amino-5-bromobenzotrifluoride Basic information
| Product Name: | 3-Amino-5-bromobenzotrifluoride |
| Synonyms: | BenzenaMine,3-broMo-5-(trifluoroMethyl)-;3-Bromo-5-(trifluoromethyl)aniline, 5-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine;3-AMino-5-broMobenzotrifluoride[3-BroMo-5-(trifluoroMethyl)aniline];3-amino-5-bromotrifluorotoluene;5-amino-3-bromo-trifluoromethylbenzene / 3-bromo-5-trifluoromethylaniline;3-BROMO-5-TRIFLUOROMETHYL-PHENYLAMINE;3-BROMO-5-(TRIFLUOROMETHYL)ANILINE;3-AMINO-5-BROMO(TRIFLUOROMETHYL)BENZENE |
| CAS: | 54962-75-3 |
| MF: | C7H5BrF3N |
| MW: | 240.02 |
| EINECS: | 259-412-6 |
| Product Categories: | Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;C7;Nitrogen Compounds;Amines;blocks;Bromides;Benzotrifluoride Series;bc0001 |
| Mol File: | 54962-75-3.mol |
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3-Amino-5-bromobenzotrifluoride Chemical Properties
| Boiling point | 220-223 °C (lit.) |
| density | 1.697 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.528(lit.) |
| Fp | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 2.30±0.10(Predicted) |
| form | Liquid |
| color | Colorless to yellow |
| InChI | InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2 |
| InChIKey | HJTLKVYOWNTDPF-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(C(F)(F)F)=CC(Br)=C1 |
| CAS DataBase Reference | 54962-75-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| HS Code | 29214300 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
3-Amino-5-bromobenzotrifluoride Usage And Synthesis
| Description | 3-Amino-5-bromobenzotrifluoride is an organic synthetic reagent or pharmaceutical intermediate component used in the synthesis of other organic compounds such as 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, fluorinated 2-benzylphthalazine-1 (2H)-one, 1-phthalazinamine and 1-alkoxy/benzyloxyphthalazine derivatives. It can also be used to prepare the targeted anti-cancer drug Nilotinib, which can be used to treat chronic granulocytic leukaemia (CML). |
| Chemical Properties | White solid |
| Uses | 3-Amino-5-bromobenzotrifluoride may be used in the synthesis of 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline. |
3-Amino-5-bromobenzotrifluoride Preparation Products And Raw materials
| Preparation Products | 3'-BroMo-5'-(trifluoroMethyl)acetophenone, 97%-->3-CYCLOPROPYL-5-(TRIFLUOROMETHYL)ANILINE-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline-->3-(1H-imidazol-1-yl)-5-(trifluoromethyl)aniline-->3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline |
