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Home > Encyclopedia > 4-Cyanobenzyl bromide

4-Cyanobenzyl bromide

4-Cyanobenzyl bromide structure

4-Cyanobenzyl bromide 

structure
  • CAS No:

    17201-43-3

  • Formula:

    C8H6BrN

  • Chemical Name:

    4-Cyanobenzyl bromide

  • Synonyms:

    Benzonitrile,4-(bromomethyl)-;p-Tolunitrile,α-bromo-;4-(Bromomethyl)benzonitrile;p-Cyanobenzyl bromide;p-(Bromomethyl)benzonitrile;4-Cyanobenzyl bromide;α-Bromo-p-tolunitrile;(p-Cyanophenyl)bromomethane;α-Bromo-p-tolylnitrile;α-Bromo-p-toluenecarbonitrile;(4-Cyanophenyl)methyl bromide;NSC 95792;1-Bromomethyl-4-cyanobenzene

  • Categories:

    Inorganic Chemistry  >  Inorganic Salts

4-Cyanobenzyl bromide Basic Attributes

196.04400

196.04

241-246-0

RV332B84ZG

95792

2926909090

Characteristics

23.79000

2.2

White solid.

1.51 g/cm3

113-115 °C

135-137 °C @ Press: 0.6 Torr

125.1ºC

1.588

Store at 0-5ºC

0.00321mmHg at 25°C

Safety Information

II

8

UN 3261 8

3

R34

S26-S28

C

Stable under normal temperatures and pressures.

P261-P280-P305 + P351 + P338-P310

H314-H334

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 144 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Cyanobenzyl bromide Use and Manufacturing

Methods of Manufacturing

General procedure: To a mixture of alcohol (1 mmol) and KBr (1.5 mmol, 0.18 g) in acetonitrile (5 mL), PA mixture of p-toluonitrile 7 (5 g, 0.043 mmol), NBS (7.6 g, 0.043 mmol) andbenzoyl peroxide (50 mg) was refluxed in chloroform (150 ml) for 24 h. After completion ofthe reaction, the solvent was evaporated under reduced pressure and then ethyl acetate andH2O was added. The organic layer was extracted and washed with brine (3×75 ml), driedover sodium sulphate, and concentrated in vacuo, compound 8 was obtained as a white solid.(7.7 g, yield 92percent).

Uses

A benzyl halide as postemergence herbicides.

Benzonitrile, 4-(bromomethyl)-: ACTIVE

Computed Properties

Molecular Weight:196.04
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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