402-43-7

Basic information

• Product Name: 4-Bromobenzotrifluoride
• Synonyms: 4-Trifluoromethylbromobenzene;Benzene,1-bromo-4-(trifluoromethyl)-;p-(Trifluoromethyl)bromobenzene;para-Bromobenzotrifluoride;p-Bromo-alpha,alpha,alpha-trifluorotoluene;Toluene, 1-bromo-alpha,alpha,alpha-trifluoro-;Toluene, p-bromo-alpha,alpha,alpha-trifluoro-;1-BROMO-4-(TRIFLUOROMETHYL)BENZENE
• CAS NO: 402-43-7
• Molecular Formula: C₇H₄BrF₃
• Molecular Weight: 225.01
• EINECS: 206-943-6
• Product Categories: Trifluoromethylbenzene serise;Fluorobenzene;Aromatic Halides (substituted);Fluorochemicals;Miscellaneous;Fluorine Compounds;Bromine Compounds;Trifluoromethyl-benzene series;Aryl;Building Blocks;C7;Chemical Synthesis;Halogenated Hydrocarbons;Organic Building Blocks;alkyl bromide
• Mol File: 402-43-7.mol
• Article Data: 63

Chemical Properties

• Boiling Point: 154-155 °C(lit.)
• Flash Point: 120 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.607 g/mL at 25 °C(lit.)
• Vapor Pressure: 4.072mmHg at 25°C
• Refractive Index: n20/D 1.472(lit.)
• Storage Temp.: Flammables area
• Solubility: Not miscible or difficult to mix.
• BRN: 2045666
• CAS DataBase Reference: 4-Bromobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromobenzotrifluoride(402-43-7)
• EPA Substance Registry System: 4-Bromobenzotrifluoride(402-43-7)

Safety Data

• Hazard Codes: Xi,F,Xn
• Statements: 10-36/37/38
• Safety Statements: 26-36-37/39-16
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• TSCA: T
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 402-43-7(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

Uses

Different sources of media describe the Uses of 402-43-7 differently. You can refer to the following data:
1. 4-Bromobenzotrifluoride is used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.
2. 4-Bromobenzotrifluoride was used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.

InChI:InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 454-79-5 2-Bromo-5-trifluoromethylaniline 
• 76092-29-0 1-bromo-4-(tribromomethyl)benzene 
• 586-76-5 4-Bromobenzoic acid 
• 56-23-5 tetrachloromethane 
• 108-86-1 bromobenzene 
• 2314-97-8 iodotrifluoromethane 
• 2966-50-9 silver trifluoroacetate 
• 5969-46-0 methyl 4-bromodithiobenzoate 
• 98-08-8 α,α,α-trifluorotoluene 
• 55642-42-7 bis(trifluoromethyl)tellurium 
• 589-87-7 1,4-bromoiodobenzene 
• 72398-40-4 4-bromobenzoyl fluoride 
• 698-67-9 p-bromobenzamide 

Downstream Products

• 7639-71-6 4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-benzenamine 
• 783-63-1 triethyl-(4-trifluoromethyl-phenyl)-plumbane 
• 829-70-9 4-(trifluoromethyl)benzenesulfinic acid 
• 109796-88-5 Methoxy-tris-(4-trifluormethyl-phenyl)-silan 
• 51431-75-5 mesityl(4-(trifluoromethyl)phenyl)sulfane 
• 29480-10-2 1-(4-(trifluoromethyl)phenyl)cyclobutan-1-ol 
• 1683-03-0 2-<4-Trifluormethyl-phenyl>-3-methyl-butan-2,3-diol 
• 14248-34-1 2-Methyl-1-(p-trifluormethylphenyl)-1-butanol 
• 21084-25-3 (3-bromophenyl)-(4-trifluoromethylphenyl)methanone 
• 36029-78-4 α-(Chlordifluormethyl)-α,p-bis(trifluormethyl)benzylalkohol 
• 53272-79-0 6-p-Trifluormethyl-phenyl-bicyclo<3.2.1>octan-6-ol 
• 34328-37-5 3-Chlor-4-fluor-4'-trifluormethylbenzophenon 
• 34328-43-3 3',4,5'-Tris(trifluormethyl)benzophenon 
• 34328-41-1 4-Trifluormethyl-3',5'-dichlorbenzophenon 

Relevant articles and documents

Preparation method of perfluoroalkylated aryl compound

The present invention provides a process for the preparation of a perfluoroalkylated aryl compound which comprises reacting an aryl compound with a perfluoroalkylsulfinate in the presence of an iron salt and hydrogen peroxide. To the method provided by the invention, perfluoroalkyl sulfinate is used as an alkylating agent, iron salt is used as a catalyst, hydrogen peroxide is used as an initiator, and the reaction time is short. The method has the characteristics of high yield, convenient operation, high safety and the like, and has wide application in the fields of drug synthesis, biological probes, fluorescent materials and the like.

Synthesis of ArCF2X and [18F]Ar-CF3via Cleavage of the Trifluoromethylsulfonyl Group

A versatile synthesis of ArCF2X and [18F]Ar-CF3 type compounds from readily available ArCF2SO2CF3 has been developed. Diverse nucleophiles, including weak nucleophiles such as halides (18F-, Cl-, Br-, and I-), RSH, and ROH, could react with ArCF2SO2CF3 efficiently to give the corresponding difluoromethylene products. The control experiments and the Hammett plot indicated that the reaction might proceed through a difluorocarbocation intermediate generated from the steric hindrance-assisted cleavage of the trifluoromethylsulfonyl group.

Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridines

The base-catalyzed isomerization of simple aryl halides is presented and utilized to achieve the 4-selective etherification, hydroxylation and amination of 3-bromopyridines. Mechanistic studies support isomerization of 3-bromopyridines to 4-bromopyridines proceedsviapyridyne intermediates and that 4-substitution selectivity is driven by a facile aromatic substitution reaction. Useful features of a tandem aryl halide isomerization/selective interception approach to aromatic functionalization are demonstrated. Example benefits include the use of readily available and stable 3-bromopyridines in place of less available and stable 4-halogenated congeners and the ability to converge mixtures of 3- and 5-bromopyridines to a single 4-substituted product.