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2,4-Dichlorobenzonitrile

2,4-Dichlorobenzonitrile structure

CAS No:
6574-98-7
Formula:
C7H3Cl2N
Chemical Name:
2,4-Dichlorobenzonitrile
Synonyms:
Benzonitrile,2,4-dichloro-;2,4-Dichlorobenzonitrile
Categories:
Chemical Reagents > Organic Reagents

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Description

white to almost white crystalline powder

2,4-Dichlorobenzonitrile Basic Attributes

Molecular Weight：

172.008

Exact Mass：

172.01

EC Number：

229-493-2

DSSTox ID：

DTXSID30215943

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.6

Appearance：

white to almost white crystalline powder

Density：

1.4±0.1 g/cm3

Melting Point：

61 °C @ Solvent: Ligroine

Boiling Point：

215°C at 760 mmHg

Flash Point：

113.4±16.0 °C

Refractive Index：

1.584

Water Solubility：

H2O: insoluble

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

wgk germany：

WGK 2 water endangering

hazard class code：

6.1

safety instructions：

S36/37/39-S26

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.01
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:170.9642545
Monoisotopic Mass:170.9642545
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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