1735-53-1

Basic information

• Product Name: 3-Trifluoromethyl-4-bromobenzonitrile
• Synonyms: 3-TRIFLUOROMETHYL-4-BROMO BENZONITRILE;4-BROMO-3-(TRIFLUOROMETHYL)BENZONITRILE;4-Chloro-3,5-dibromo-(difluoromethoxy)benzene;Benzonitrile, 4-bromo-3-(trifluoromethyl)-;4-Bromo-3-(trifluoromethyl)benzonitrile 97%;2-Bromo-5-cyanobenzotrifluoride;2-Bromo-5-cyanobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-m-tolunitrile
• CAS NO: 1735-53-1
• Molecular Formula: C₈H₃BrF₃N
• Molecular Weight: 250.02
• Product Categories: Nitrile
• Mol File: 1735-53-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 80.0 to 84.0 °C
• Boiling Point: 235.573 °C at 760 mmHg
• Flash Point: 96.271 °C
• Appearance: light yellow solid
• Density: 1.719 g/cm³
• Vapor Pressure: 0.05mmHg at 25°C
• Refractive Index: 1.517
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-Trifluoromethyl-4-bromobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Trifluoromethyl-4-bromobenzonitrile(1735-53-1)
• EPA Substance Registry System: 3-Trifluoromethyl-4-bromobenzonitrile(1735-53-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• RIDADR: UN 3439 6.1/PG III
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1735-53-1(Hazardous Substances Data)

Usage

Chemical Properties

light yellow solid

InChI:InChI=1/C8H3BrF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H

Upstream product

• 623-00-7 4-bromobenzenecarbonitrile 
• 76-05-1 trifluoroacetic acid 
• 544-92-3 copper(I) cyanide 
• 393-36-2 4-bromo-3-(trifluoromethyl)aniline 

Downstream Products

• 161622-14-6 4-bromo-3-(trifluoromethyl)benzoic acid 
• 1034188-30-1 4-(1-cyclohexen-1-yl)-3-(trifluoromethyl)benzamide 
• 1034188-34-5 4-(2-methylpropyl)-3-(trifluoromethyl)benzamide 
• 1034188-54-9 C₁₄H₇F₄N 
• 677704-57-3 4-(morpholin-4-yl)-3-(trifluoromethyl)benzonitrile 
• 267242-09-1 4-cyano-2-(trifluoromethyl)benzoic acid 
• 124811-71-8 4-hydroxy-3-(trifluoromethyl)benzonitrile 

Relevant articles and documents

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

Synthesis of 3-trifluoromethyl-4-halobenzonitriles

The practical synthetic method for a series of substantially novel fluorine-containing polyfunctional aromatic compounds, 3-trifluoromethyl-4-halobenzonitriles [halo = Cl, Br, and F], was established by using copper-cyano complexes as effective Sandmeyer cyanating reagents.