4-Cyanobenzyl bromide
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4-Cyanobenzyl bromide
structure -
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CAS No:
17201-43-3
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Formula:
C8H6BrN
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Chemical Name:
4-Cyanobenzyl bromide
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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
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CAS No:
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
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).
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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