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

• 175135-49-6 N-(2-bromo-4-(trifluoromethyl)phenyl)acetamide 
• 924627-62-3 (2-bromo-4-trifluoromethylphenyl)carbamic acid tert-butyl ester 
• 6526-08-5 2-amino-5-(trifluoromethyl)benzonitrile 
• 117324-58-0 methyl 2-Amino-5-trifluoromethylbenzoate 
• 481075-58-5 2-bromo-1-iodo-4-(trifluoromethyl)benzene 
• 231296-98-3 (E)-methyl 3-(2-amino-5-(trifluoromethyl)phenyl) acrylate 
• 401567-22-4 6-trifluoromethyl-1,3-benzothiazole-2-thiol 
• 1451051-70-9 C₉H₇BrF₃NO₂ 
• 1058062-64-8 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine 
• 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 
• 1629909-35-8 3-iodo-N¹-(2-methyl-4-(perfluoropropan-2-yl)phenyl)-N²-(2-(1-(2-bromo-4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-yl)phthalamide 

Relevant articles and documents

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.

Aryl halide and synthesis method and application thereof

The invention discloses a synthesis method of aryl halides (including aryl bromide shown as a formula (2) and aryl iodide shown as a formula (3)). All the systems are carried out in an air atmosphere,visible light is utilized to excite a substrate or a photosensitizer to catalyze the reaction; and in a reaction solvent, when aromatic hydrocarbon shown in the formula (1) and sodium bromide serve as raw materials, aryl bromide shown in the formula (2) is obtained through a reaction under the auxiliary action of an additive (protonic acid); or when aromatic hydrocarbon shown in the formula (1) and sodium iodide are used as raw materials, under the auxiliary action of an additive (protonic acid), aryl iodide shown in the formula (3) is obtained through reaction. The synthesis method has the advantages of cheap and accessible raw materials, simple reaction operation and mild reaction conditions. The method is compatible with the arylamine which is liable to be oxidized. The invention provides a new method for the synthesis of aryl halides, realizes the amplification of basic chemicals aryl halides including aryl bromide shown in the formula (2) and aryl iodide shown in the formula (3),and has wide application prospect and practical value.

Nitromethane as a reagent for the synthesis of 3-nitroindoles from 2-haloarylamine derivatives

A new approach to the synthesis of 3-nitroindoles using palladium-catalyzed arylation of nitromethane with N-(2-bromoaryl)imidates was developed. A convenient and rapid method for cyclization of ethyl N-(2-nitromethylaryl)acetimidates to 2-methyl-3-nitro-1H-indoles was proposed.