4-Cyanobenzyl bromide

4-Cyanobenzyl bromide Basic information
Uses Chemical Properties
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
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-tolunitrile English
SigmaAldrich English
ACROS English
ALFA English
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 Propertieswhite to light yellow crystal powde
UsesA benzyl halide as postemergence herbicides.
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.
Uses4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.
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-->3-MORPHOLIN-4-YLMETHYL-BENZYLAMINE
4-(bromomethyl)-3-chlorobenzonitrile 2-Bromo-4-cyanobenzyl bromide 4-CYANO-2-METHOXYBENZYL BROMIDE Rocuronium bromide 4-(BROMOMETHYL)-2-FLUOROBENZONITRILE 2-Fluoro-4-cyanobenzyl bromide 4,4'-(1-BROMOMETHYL) BIS-BENZONITRILE 4-Cyanobenzoyl chloride 4-Nitrobenzyl bromide Sodium bromate Benzeneacetonitrile 4-CYANOBENZYLBROMIDE, [CYANO-14C]- 4-(BROMOMETHYL)NAPHTHALENE-1-CARBONITRILE 4-Cyanophenol Ethidium bromide Bromine METHYL 2-BROMO-2-(4'-CYANOPHENYL)ACETATE Methyl bromide

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