4-Cyanobenzyl bromide

4-Cyanobenzyl bromide Basic information
Uses Chemical Properties
Product Name:4-Cyanobenzyl bromide
Synonyms:4-(bromomethyl)-benzonitril;4CNBB;4-CYANOBENZYL BROMIDE;Benzonitrile, 4-(bromomethyl)-;Benzonitrile, p-(bromomethyl)-;p-(Bromomethyl)benzonitrile;p-Tolunitrile, alpha-bromo-;p-Toluonitrile, alpha-bromo-
CAS:17201-43-3
MF:C8H6BrN
MW:196.04
EINECS:241-246-0
Product Categories:Aromatics;Miscellaneous;Aromatics Compounds;Aromatic Halides (substituted);Organics;Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
Mol File:17201-43-3.mol
4-Cyanobenzyl bromide Structure
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
CAS DataBase Reference17201-43-3(CAS DataBase Reference)
NIST Chemistry Reference«ALPHA»-bromo-p-tolunitrile(17201-43-3)
EPA Substance Registry SystemBenzonitrile, 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
10-19-21
Hazard Note Corrosive
TSCA Yes
HazardClass 8
PackingGroup II
HS Code 29269090
MSDS Information
ProviderLanguage
alpha-Bromo-p-tolunitrileEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
4-Cyanobenzyl bromide Usage And Synthesis
Uses4-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 Properties4-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 Propertieswhite to light yellow crystal powde
Uses4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.
Uses4-(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.
UsesA benzyl halide as postemergence herbicides.
General Description4-(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 ProductsTERT-BUTYL 4-(4-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE–>4-Cyanobenzoic acid–>Letrozole–>4-(4-CYANOBENZYL)-1,2,4-TRIAZOLE–>(4-CYANOBENZYL)PHOSPHONIC ACID DIETHYL ESTER–>4-CYANOPHENYLACETONITRILE 97–>Ethyl 4-(bromomethyl)benzoate–>TERT-BUTYL 4-(BROMOMETHYL)BENZYLCARBAMATE–>(4-AMINOMETHYL-PHENYL)-METHANOL–>Bromoethane–>4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile–>Thioacetic acid S-(4-cyano-benzyl) ester

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