57946-63-1

Basic information

• Product Name: 4-Amino-3-bromobenzotrifluoride
• Synonyms: TIMTEC-BB SBB000789;BUTTPARK 44\03-51;2-BROMO-4-TRIFLUOROMETHYL-PHENYLAMINE;2-BROMO-4-(TRIFLUOROMETHYL)ANILINE;4-AMINO-3-BROMOBENZOTRIFLUORIDE;3-BROMO-4-AMINO BENZOTRIFLUORIDE;4-Amino-3-bromobenzotrifluoride,95% (2_Bromo-4-trifluoromethylaniline);4-Amino-3-bromobenzotrifluoride 98%
• CAS NO: 57946-63-1
• Molecular Formula: C₇H₅BrF₃N
• Molecular Weight: 240.02
• EINECS: 261-035-7
• Product Categories: Aromatic Halides (substituted);Aniline;Benzotrifluoride Series;Amines;C7;Nitrogen Compounds
• Mol File: 57946-63-1.mol
• Article Data: 14

Chemical Properties

• Melting Point: 26-28°C
• Boiling Point: 109-110 °C10 mm Hg(lit.)
• Flash Point: 110 °C
• Appearance: White/Crystals
• Density: 1,7 g/cm3
• Vapor Pressure: 0.155mmHg at 25°C
• Refractive Index: n20/D 1.524(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 0.70±0.10(Predicted)
• BRN: 8139978
• CAS DataBase Reference: 4-Amino-3-bromobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Amino-3-bromobenzotrifluoride(57946-63-1)
• EPA Substance Registry System: 4-Amino-3-bromobenzotrifluoride(57946-63-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 57946-63-1(Hazardous Substances Data)

Usage

Chemical Properties

white crystals

InChI:InChI=1/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 887144-94-7 Togni's reagent II 
• 615-36-1 2-bromoaniline 

Downstream Products

• 481075-58-5 2-bromo-1-iodo-4-(trifluoromethyl)benzene 
• 401567-22-4 6-(trifluoromethyl)benzo[d]thiazole-2(3H)-thione 
• 1404532-00-8 benzyl 5-trifluoromethyl-1H-indole-3-carboxylate 
• 1054567-53-1 (E)-2-styryl-4-(trifluoromethyl)aniline 
• 1643796-22-8 benzyl (2-bromo-4-(trifluoromethyl)phenyl)carbamate 
• 1643796-06-8 benzyl 5-(trifluoromethyl)-1H-indole-1-carboxylate 
• 1643795-88-3 benzyl (4-(trifluoromethyl)-2-vinylphenyl)carbamate 
• 1549671-23-9 1-azido-2-bromo-4-(trifluoromethyl)benzene 

Relevant articles and documents

NOVEL ORGANIC COMPOUND AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING THE SAME AND ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING THE SAME

The present invention provides a novel organic compound represented by chemical formula 1, a material for an organic electroluminescent device including the organic compound, and an organic electroluminescent device. The present invention can improve thermal stability, color purity, and device life.

Visible-light-promoted oxidative halogenation of (hetero)arenes

Organic halides are critical building blocks that participate in various cross-coupling reactions. Furthermore, they widely exist as natural products and artificial molecules in drugs with important physiological activities. Although halogenation has been well studied, to the best of our knowledge, studies focussing on sensitive systems (e.g.aryl amines) have not been reported. Herein, we describe a compatible oxidative halogenation of (hetero)arenes with air as the oxidant and halide ions as halide sources under ambient conditions (visible light, air, aqueous system, room temperature, and normal pressure). Moreover, this protocol is practically feasible for gram-scale synthesis, showing potential for industrial application.

Transition metal-free direct C–H trifluoromethyltion of (hetero)arenes with Togni's reagent

A new transition-metal-free direct C–H trifluoromethylation reaction of (hetero)arenes with Togni's reagent was developed. This transformation proceeded smoothly under mild conditions and exhibited good tolerance of many synthetically relevant functional groups. It provided an alternative approach for the synthesis of trifluoromethylated (hetero)arenes.