(4-Chlorophenyl)acetonitrile
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(4-Chlorophenyl)acetonitrile
structure -
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CAS No:
140-53-4
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Formula:
C8H6ClN
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Chemical Name:
(4-Chlorophenyl)acetonitrile
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Synonyms:
Benzeneacetonitrile,4-chloro-;Acetonitrile,(p-chlorophenyl)-;4-Chlorobenzeneacetonitrile;(p-Chlorophenyl)acetonitrile;p-Chlorobenzyl cyanide;(4-Chlorophenyl)acetonitrile;4-Chlorobenzyl cyanide;2-(4-Chlorophenyl)acetonitrile;p-Chloro-α-cyanotoluene;4-Chlorobenzyl nitrile;p-Chlorbenzylnitrile;NSC 49108
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CAS No:
Description
clear colorless to yellowish liquid after meltingChEBI: A nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group.
4-chlorophenylacetonitrile is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group.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.
(4-Chlorophenyl)acetonitrile Basic Attributes
151.59
151.59
971171
205-418-9
K2K7AKZ2Z7
49108
DTXSID8051708
29269095
Characteristics
23.8
2.04
Clear colorless to yellow Liquid After Melting
1.1968 g/cm3 @ Temp: 20 °C
30 °C
100-101 °C @ Press: 1 Torr
>230 °F
n 20/D 1.543
0.3g/l
Store below +30°C.
0.00887mmHg at 25°C
Oral-rat LD50: 50 mg/kg;Abdominal cavity-mouse LD50: 27 mg/kg;
Thermal decomposition releases toxic nitrogen oxides and chloride fumes
Safety Information
II
6.1
UN 2811 6.1/PG 3
3
23/24/25-36/37/38
26-36/37/39-45-28B
AL8250000
T,Xi
Treasury is ventilated and dry at low temperature; stored separately from acid
Irritant/Toxic
Stable under normal temperatures and pressures.
P261-P280-P301 + P310-P305 + P351 + P338-P311
H301-H311-H315-H319-H331-H335
|Danger|H300 (16.67%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(4-Chlorophenyl)acetonitrile Use and Manufacturing
The preparation method is to add solid sodium cyanide and water into the reactor, heat to 40°C to dissolve the sodium cyanide, add a phase transfer catalyst, and then add p-chlorobenzyl chloride dropwise at a temperature of 40-60°C, dropwise add After completion, the reaction was stirred at 85°C for 4h, and after cooling, it was treated to obtain p-chlorobenzyl cyanide.
Used as an intermediate for pyrimethamine and in the synthesis of medicines and dyes; p-chlorobenzyl cyanide, or p-chlorobenzene acetonitrile, is an intermediate for preparing 3-methyl-2-(4-chlorophenyl) butyric acid, It can be used to prepare pyrethroid insecticides such as fenvalerate and deltamethrin, and can be used in the pharmaceutical industry to prepare pyrimethamine; an intermediate for the drug pyrimethamine. Used in the manufacture of p-chlorobenzyl alcohol, p-chlorobenzaldehyde, p-chlorobenzene acetonitrile, etc. An intermediate for the synthesis of ER-330 fluorescent whitening agent, which can also be used in pesticides and medicine.
Benzeneacetonitrile, 4-chloro-: INACTIVE
Computed Properties
Molecular Weight:151.59
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:151.0188769
Monoisotopic Mass:151.0188769
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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