54962-75-3

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 NO: 54962-75-3
• Molecular Formula: C₇H₅BrF₃N
• Molecular Weight: 240.02
• EINECS: 259-412-6
• Product Categories: Amines;blocks;Bromides;Benzotrifluoride Series;C7;Nitrogen Compounds;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 54962-75-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 220-223 °C(lit.)
• Flash Point: >230 °F
• Appearance: Colorless to yellow/Liquid
• Density: 1.697 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.55E-05mmHg at 25°C
• Refractive Index: n20/D 1.528(lit.)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 2.30±0.10(Predicted)
• CAS DataBase Reference: 3-Amino-5-bromobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Amino-5-bromobenzotrifluoride(54962-75-3)
• EPA Substance Registry System: 3-Amino-5-bromobenzotrifluoride(54962-75-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 54962-75-3(Hazardous Substances Data)

Usage

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.

InChI:InChI=1/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2/b2-1+

Upstream product

• 98-08-8 α,α,α-trifluorotoluene 
• 98-46-4 3-trifluoromethylnitrobenzene 
• 630125-49-4 1-bromo-3-nitro-5-(trifluoromethyl)benzene 

Downstream Products

• 943320-48-7 3-(1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine 
• 943320-51-2 3-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 
• 641571-11-1 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 
• 49674-28-4 3-amino-5-(trifluoromethyl)benzonitrile 
• 641571-02-0 5-(4-morpholinyl)-3-(trifluoromethyl)benzenamine 
• 641571-21-3 3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)benzenamine 
• 1228885-62-8 1-[3-bromo-5-(trifluoromethyl)phenyl]-3-{4-[4-(thiazol-2-yl)phenoxy]phenyl}urea 
• 1228885-73-1 1-{4-[4-(1H-imidazol-2-yl)phenoxy]phenyl}-3-[3-bromo-5-(trifluoromethyl)phenyl]urea 
• 1449223-28-2 C₁₆H₉Br₂F₃N₂S*BrH 

Relevant articles and documents

Nilotinib hydrochloride bulk drug impurity and preparation method thereof

The invention provides a preparation method of a nilotinib hydrochloride bulk drug impurity. The preparation method comprises the following steps: S1) reducing a compound as shown in a formula (II) to obtain a compound as shown in a formula (III); and S2) subjecting the compound as shown in the formula (III) to reacting with imidazole to obtain the nilotinib hydrochloride bulk drug impurity as shown in the formula (I). The formulas are as defined in the specification, and X in the formulas is halogen. Compared with the prior art, the preparation method of the impurity in the initial raw material of nilotinib hydrochloride provided by the invention has the advantages that raw materials are easy to obtain, a process route is relatively short, precious metals such as palladium can be prevented from being used for a reaction, quinoline compounds are not used, and residues of the quinoline compounds are avoided; and the method can be used for process development, production, quality standard establishment and quality control links of nilotinib, and provides technical support for the medication safety of the monohydrate nilotinib hydrochloride.