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2,5-Dichlorobenzonitrile

2,5-Dichlorobenzonitrile structure

CAS No:
21663-61-6
Formula:
C7H3Cl2N
Chemical Name:
2,5-Dichlorobenzonitrile
Synonyms:
Benzonitrile,2,5-dichloro-;2,5-Dichlorobenzonitrile;NSC 166361
Categories:
Chemical Reagents > Organic Reagents

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Description

White solid

2,5-Dichlorobenzonitrile Basic Attributes

Molecular Weight：

172.01

Exact Mass：

172.01

BRN：

2045293

EC Number：

244-518-7

NSC Number：

166361

DSSTox ID：

DTXSID70176049

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.84

Appearance：

off-white crystal

Density：

1.4±0.1 g/cm3

Melting Point：

129 °C

Boiling Point：

247.6±20.0 °C at 760 mmHg

Flash Point：

103.9±16.0 °C

Refractive Index：

1.584

Vapor Pressure：

0.0254mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36-36/37/39-22

Marks：

Xi,T,Xn

Hazard note：

Irritant/Toxic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (11.36%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dichlorobenzonitrile Use and Manufacturing

2,5-Dichlorobenzonitrile is a new type of pesticide intermediate, which is mainly used to synthesize anti-ulcer drugs. It is also used in engineering plastics, electronic materials and dyes.

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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CAS No.: 21663-61-6

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