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3-Chlorobenzonitrile

3-Chlorobenzonitrile structure

CAS No:
766-84-7
Formula:
C7H4ClN
Chemical Name:
3-Chlorobenzonitrile
Synonyms:
Benzonitrile,3-chloro-;Benzonitrile,m-chloro-;3-Chlorobenzonitrile;m-Chlorobenzonitrile;m-Cyanochlorobenzene;m-Chlorocyanobenzene;m-Chlorobenzonitrile;NSC 59733
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

SLIGHTLY BEIGE TO LIGHT PINK CRYSTALLINE POWDER

3-Chlorobenzonitrile Basic Attributes

Molecular Weight：

137.566

Exact Mass：

137.57

EC Number：

212-172-6

NSC Number：

59733

DSSTox ID：

DTXSID20227414

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

1.7

Appearance：

Very light beige crystalline powder.

Density：

1.2±0.1 g/cm3

Melting Point：

41 °C

Boiling Point：

203.4°C at 760 mmHg

Flash Point：

97.2±0.0 °C

Refractive Index：

1.563

Water Solubility：

H2O: insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R21/22;R36

safety instructions：

S23-S24/25

RTECS Number：

DI2600000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P361, P363, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:137.56
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Exact Mass:137.0032268
Monoisotopic Mass:137.0032268
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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