3-Bromo-5-(trifluoromethyl)aniline , ≥98.0% , 54962-75-3

CAS NO.：54962-75-3

Empirical Formula: C7H5BrF3N

Molecular Weight: 240.02

MDL number: MFCD00236205

EINECS: 259-412-6

PRODUCT Properties

• Boiling point: 220-223 °C (lit.)
• Density: 1.697 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.528(lit.)
• Flash point: >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)

Description and Uses

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).

3-Amino-5-bromobenzotrifluoride may be used in the synthesis of 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazard Note: Irritant
• HazardClass: 6.1
• HS Code: 29214300