191165-13-6

Basic information

• Product Name: 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE
• Synonyms: 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE;3-Bromo-6-cyanobenzotrifluoride;5-Bromo-2-cyanobenzotrifluoride;4-Bromo-2-(trifluoromethyl)benzonitrile ,98%;Benzonitrile, 4-broMo-2-(trifluoroMethyl)-;5-Bromo-2-cyanobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-o-tolunitrile
• CAS NO: 191165-13-6
• Molecular Formula: C₈H₃BrF₃N
• Molecular Weight: 250.02
• Product Categories: Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Organic Building Blocks
• Mol File: 191165-13-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 43-44℃
• Boiling Point: 240℃
• Flash Point: 99℃
• Appearance: White solid
• Density: 1.71
• Vapor Pressure: 0.04mmHg at 25°C
• Refractive Index: 1.517
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• CAS DataBase Reference: 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE(191165-13-6)
• EPA Substance Registry System: 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE(191165-13-6)

Safety Data

• Hazardous Substances Data: 191165-13-6(Hazardous Substances Data)

Usage

Description

4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE is an off-white crystalline compound that serves as an intermediate in the synthesis of various organic compounds and chemical processes.

Uses

Used in Organic Synthesis:
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE is used as an intermediate for the synthesis of 4-Bromo-2-(trifluoromethyl)phenylacetic Acid (B688526), which is a useful compound for further organic synthesis and other chemical processes. This intermediate plays a crucial role in the development of new molecules with potential applications in various industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE is used as a building block for the development of new drugs. Its unique chemical structure allows for the creation of novel compounds with potential therapeutic properties, contributing to the advancement of medical treatments.
Used in Chemical Research:
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE is also utilized in chemical research for studying the properties and reactions of various organic compounds. Its crystalline nature and reactivity make it an ideal candidate for exploring new reaction pathways and understanding the underlying mechanisms in chemical processes.

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

Upstream product

• 654-70-6 4-amino-2-trifluoromethylbenzonitrile 
• 393-37-3 5-bromo-2-fluorobenzotrifluoride 
• 151-50-8 potassium cyanide 
• 623-00-7 4-bromobenzenecarbonitrile 
• 76-05-1 trifluoroacetic acid 
• 98-16-8 3-trifluoromethylaniline 
• 393-36-2 4-bromo-3-(trifluoromethyl)aniline 

Downstream Products

• 854765-34-7 tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate 
• 854765-35-8 4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)benzonitrile 
• 854765-24-5 tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-3,6-dihydropyridine-1(2H)-carboxylate 
• 854765-25-6 tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate 
• 320-31-0 4-bromo-2-(trifluoromethyl)benzoic acid 
• 1215086-25-1 4-[2,5-dioxo-4-(3-methylphenyl)-4-[(2-propenyloxy)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 
• 1215085-79-2 4-[2,5-dioxo-4-(4-fluorophenyl)-4-[(2-propenyloxy)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 
• 1215085-66-7 4-[2,5-dioxo-4-phenyl-4-[(2-propenyloxy)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 
• 1215085-99-6 4-[4-(4-cyanophenyl)-2,5-dioxo-4-[(2-propenyloxy)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 
• 1215086-04-6 4-[4-(3-cyanophenyl)-2,5-dioxo-4-[(2-propenyloxy)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 
• 1215086-10-4 4-[2,5-dioxo-4-[(2-propenyloxy)methyl]-4-(3-trifluoromethylphenyl)-imidazolidin-1-yl]-2-trifluoromethylbenzonitrile 
• 959694-17-8 4-[4-fluoromethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile 
• 1265323-65-6 2-(trifluoromethyl)-4-vinylbenzonitrile 
• 1265750-12-6 N'-hydroxy-2-(trifluoromethyl)-4-vinylbenzimidamide 

Relevant articles and documents

One-Pot, Metal-Free Conversion of Anilines to Aryl Bromides and Iodides

A metal-free synthesis of aryl bromides and iodides from anilines via halogen abstraction from bromotrichloromethane and diiodomethane is described. This one-pot reaction affords aryl halides from the corresponding anilines in moderate to excellent yields without isolation of diazonium salts. The transformation has short reaction times, a simple workup, and insensitivity to moisture and air and avoids excess halogenation. DFT calculations support a SRN1 mechanism. This method represents a convenient alternative to the classic Sandmeyer reaction.

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).

SELECTIVE ANDROGEN RECEPTOR MODULATORS

This invention provides compounds of formula I, pharmaceutical compositions comprising a compound of formula I and a pharmaceutically acceptable excipient, methods of modulating the androgen receptor, methods of treating diseases beneficially treated by an androgen receptor modulator (e.g., sarcopenia, prostate cancer, contraception, type 2 diabetes related disorders or diseases, anemia, depression, and renal disease) and processes for making compounds and intermediates useful in the preparation of same.