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ChemicalBook >  Product Catalog >  Inorganic chemistry >  Inorganic salts >  Cyanide, hydroxide and hydrogen complexes >  4-Cyanobenzyl bromide

4-Cyanobenzyl bromide

Basic information Uses Chemical Properties Safety Supplier Related

4-Cyanobenzyl bromide Basic information

Product Name:
4-Cyanobenzyl bromide
Synonyms:
  • 4-(bromomethyl)-benzonitril
  • 4-(BROMOMETHYL)BENZONITRILE
  • 4CNBB
  • 4-CYANOBENZYL BROMIDE
  • Benzonitrile, 4-(bromomethyl)-
  • Benzonitrile, p-(bromomethyl)-
  • p-(Bromomethyl)benzonitrile
  • p-Tolunitrile, alpha-bromo-
CAS:
17201-43-3
MF:
C8H6BrN
MW:
196.04
EINECS:
241-246-0
Product Categories:
  • Aromatics
  • Miscellaneous
  • Aromatic Halides (substituted)
  • Organics
  • Aromatics Compounds
  • Building Blocks
  • C8 to C9
  • Chemical Synthesis
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
17201-43-3.mol
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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)
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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
10-19-21
Hazard Note 
Corrosive
TSCA 
Yes
HazardClass 
8
PackingGroup 
II
HS Code 
29269090

MSDS

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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 Preparation Products And Raw materials

Preparation Products

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