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3-Chlorobenzeneacetonitrile

3-Chlorobenzeneacetonitrile structure

CAS No:
1529-41-5
Formula:
C8H6ClN
Chemical Name:
3-Chlorobenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3-chloro-;Acetonitrile,(m-chlorophenyl)-;3-Chlorobenzeneacetonitrile;m-Chlorobenzyl cyanide;3-Chlorophenylacetonitrile;3-Chlorobenzyl cyanide;m-Chlorophenylacetonitrile;m-Chlorobenzyl nitrile;2-(3-Chlorophenyl)acetonitrile;1-Chloro-3-(cyanomethyl)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless liquid

3-Chlorobenzeneacetonitrile Basic Attributes

Molecular Weight：

151.59

Exact Mass：

151.59

EC Number：

216-213-9

UNII：

P8K3M9GKQ5

DSSTox ID：

DTXSID10165154

HScode：

29269090

Characteristics

PSA：

23.79000

XLogP3：

2.04

Density：

1.283 g/mL at 25 °C(lit.)

Melting Point：

11.5 °C

Boiling Point：

261 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.544(lit.)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 1

wgk germany：

hazard class code：

R23/24/25;R36/37/38

safety instructions：

36/37/39-45-28B

RTECS Number：

AL8240000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301-H311-H331

GHS Classification：

|Danger|H301 (91.11%): Toxic 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1529-41-5

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3-Chlorobenzyl cyanide

CAS No.: 1529-41-5

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Guide of 3-Chlorobenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-Chlorobenzeneacetonitrile

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