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2-Bromobenzonitrile

2-Bromobenzonitrile structure

CAS No:
2042-37-7
Formula:
C7H4BrN
Chemical Name:
2-Bromobenzonitrile
Synonyms:
Benzonitrile,2-bromo-;Benzonitrile,o-bromo-;2-Bromobenzonitrile;o-Bromobenzonitrile;1-Bromo-2-cyanobenzene;o-Bromocyanobenzene;1-Cyano-2-bromobenzene;2-Cyanobromobenzene;NSC 59730;2-Cyano-1-bromobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystal powder

2-Bromobenzonitrile Basic Attributes

Molecular Weight：

182.02

Exact Mass：

182.02

EC Number：

218-045-1

UNII：

8LSJ4JR86W

NSC Number：

59730

DSSTox ID：

DTXSID50174366

HScode：

2926909033

Characteristics

PSA：

23.8

XLogP3：

2.1

Appearance：

white to pale yellow crystalline powder

Density：

1.6±0.1 g/cm3

Melting Point：

55.5 °C

Boiling Point：

252 °C

Flash Point：

113.7±22.6 °C

Refractive Index：

1.606

Storage Conditions：

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

Vapor Pressure：

0.0198mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S22-S24/25-S36/37/39-S26

RTECS Number：

DI2459750

Marks：

Xn:Harmful

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P270, P271, P273, 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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (91.84%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, 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 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-bromobenzonitrile

Computed Properties

Molecular Weight:182.02
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Exact Mass:180.95271
Monoisotopic Mass:180.95271
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzonitrile

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