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4-Chlorobenzyl cyanide

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4-Chlorobenzyl cyanide Basic information

Product Name:
4-Chlorobenzyl cyanide
Synonyms:
  • 4-Chlorobenzyl cyanide, 98+% 100GR
  • 4-CHLOROBENZYL CYANIDE FOR SYNTHESIS
  • The effects of acetonitrile
  • (4-Chlorophenyl)acetonitrile 96%
  • (4-CHLOROPHENYL)ACETONITRILE
  • 4-CHLOROBENZYL CYANIDE
  • CHLOROBENZYLCYANIDE-4
  • LABOTEST-BB LT00891700
CAS:
140-53-4
MF:
C8H6ClN
MW:
151.59
EINECS:
205-418-9
Product Categories:
  • Aromatic Nitriles
Mol File:
140-53-4.mol
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4-Chlorobenzyl cyanide Chemical Properties

Melting point:
25-28 °C(lit.)
Boiling point:
265-267 °C(lit.)
Density 
1.19 g/mL at 20 °C(lit.)
refractive index 
n20/D 1.543
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
0.3g/l
form 
Liquid After Melting
color 
Clear colorless to yellow
BRN 
971171
Exposure limits
NIOSH: IDLH 25 mg/m3
InChIKey
IVYMIRMKXZAHRV-UHFFFAOYSA-N
CAS DataBase Reference
140-53-4(CAS DataBase Reference)
NIST Chemistry Reference
Benzeneacetonitrile, 4-chloro-(140-53-4)
EPA Substance Registry System
Benzeneacetonitrile, 4-chloro- (140-53-4)
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Safety Information

Hazard Codes 
T,Xi
Risk Statements 
23/24/25-36/37/38
Safety Statements 
26-36/37/39-45-28B
RIDADR 
UN 2811 6.1/PG 3
WGK Germany 
3
RTECS 
AL8250000
Hazard Note 
Irritant/Toxic
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
II
HS Code 
29269095

MSDS

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4-Chlorobenzyl cyanide Usage And Synthesis

Chemical Properties

clear colorless to yellowish liquid after melting. Soluble in acetone and ethanol.

Uses

4-Chlorobenzyl cyanide is an intermediate for the preparation of 3-methyl-2-(4-chlorophenyl)butyric acid, which can be used to prepare pyrethroid insecticides such as fenvalerate and deltamethrin, and can be used in medicine Industrial preparation of pyrimethamine.

Preparation

4-Chlorobenzyl cyanide is obtained by the reaction of 4-Chlorobenzyl chloride with sodium cyanide. Add 4-Chlorobenzyl chloride and Benzyldodecyldimethylammonium bromide into the reaction pot, heat to 100°C, slowly add sodium cyanide aqueous solution, and react at 100-104°C for 5h (add sodium cyanide for 3h, keep warm for 2h). Then add water to dissolve sodium chloride, and separate the water layer to obtain the crude benzyl chloride cyanide, which is distilled under reduced pressure to collect 160 (2.66kPa) fractions to obtain the finished product of 4-Chlorobenzyl cyanide. The yield is above 81%.

Definition

ChEBI: 4-Chlorobenzyl cyanide is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group. It is a member of monochlorobenzenes and a nitrile. It derives from an acetonitrile.

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