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2-(4-Chlorophenoxy)acetonitrile

2-(4-Chlorophenoxy)acetonitrile structure

CAS No:
3598-13-8
Formula:
C8H6ClNO
Chemical Name:
2-(4-Chlorophenoxy)acetonitrile
Synonyms:
4-CHLOROPHENOXYACETONITRILE;4-Chloro-alpha-cyanoanisole;4-CHLORO-O-CYANOMETHYLPHENOL;4-Chlorophenoxyacetonitrile98%;4-Chlorophenoxyacetonitrile,98%;2-(4-CHLOROPHENOXY)ACETONITRILE
Categories:
Organic Chemistry > Coordination Complexes

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2-(4-Chlorophenoxy)acetonitrile Basic Attributes

Molecular Weight：

167.592

Exact Mass：

167.013794

NSC Number：

204123

DSSTox ID：

DTXSID40308436

HScode：

2926909090

Characteristics

PSA：

XLogP3：

2.3

Density：

1.2±0.1 g/cm3

Melting Point：

45-49 °C(lit.)

Boiling Point：

279.7°C at 760 mmHg

Flash Point：

123.0±20.4 °C

Refractive Index：

1.539

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

6.1

safety instructions：

S36-S36/37/39-S26

Marks：

Xn:Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.59
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-(4-Chlorophenoxy)acetonitrile

CAS No.: 3598-13-8

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Guide of 2-(4-Chlorophenoxy)acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-(4-Chlorophenoxy)acetonitrile

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