4-Cyanobenzyl bromide Chemical Properties

Melting point:

115-117 °C(lit.)

Boiling point:

143 °C / 12mmHg

Density 

1.5466 (rough estimate)

refractive index 

1.6550 (estimate)

storage temp. 

Inert atmosphere,2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

color 

Clear colorless to yellow

Water Solubility 

Soluble in chloroform and methanol. Insoluble in water.

BRN 

636717

InChI

InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

InChIKey

UMLFTCYAQPPZER-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C(CBr)C=C1

CAS DataBase Reference

17201-43-3(CAS DataBase Reference)

NIST Chemistry Reference

«ALPHA»-bromo-p-tolunitrile(17201-43-3)

EPA Substance Registry System

Benzonitrile, 4-(bromomethyl)- (17201-43-3)

Safety Information

Hazard Codes 

C

Risk Statements 

34-42/43

Safety Statements 

22-26-36/37/39-45-28A

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

F 

10-19-21

Hazard Note 

Corrosive

TSCA 

Yes

HazardClass 

8

PackingGroup 

II

HS Code 

29269090

MSDS

• Language:English Provider:alpha-Bromo-p-tolunitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Cyanobenzyl bromide Usage And Synthesis

Uses

4-Cyanobenzyl bromide is an important intermediate for pharmaceutical production. It can be used for the synthesis of a series of piperidine-linked aromatic diimidazolines, which have been synthesized as conformationally restricted congeners of the anti-Pneumocystis carinii (PCP) drug, Pentamidine.

Chemical Properties

4-Cyanobenzyl bromide (C8H6BrN, CAS registry No. 17201-43-3) is a white solid. Its melting point is 113-117°C, and flash point is 125.1°C. It is insoluble in water at 20°C. It is stable under normal temperatures and pressures. It should be stored at 0-5°C.

Chemical Properties

white to light yellow crystal powde

Uses

A benzyl halide as postemergence herbicides.

Uses

4-(Bromomethyl)benzonitrile is used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.

Uses

4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.

General Description

4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile.

4-Cyanobenzyl bromide(17201-43-3)Related Product Information

• Methyl 4-cyanobenzoate
• 4-Cyanobenzoyl chloride
• Ethidium bromide
• 4-Cyanophenol
• Sodium bromate
• Rocuronium bromide
• ETHYL 2-CYANOACRYLATE
• Sodium cyanoborohydride
• Ethyl cyanoformate
• 2-Cyanoacetamide
• Methylene dithiocyanate
• Diethylstilbestrol
• Benzyl bromide
• Allyl bromide
• Cyanoacetic acid
• α-Lipoic Acid
• 2-Fluoro-4-cyanobenzyl bromide
• Bromine