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4-Bromobenzonitrile

4-Bromobenzonitrile structure

CAS No:
623-00-7
Formula:
C7H4BrN
Chemical Name:
4-Bromobenzonitrile
Synonyms:
Benzonitrile,4-bromo-;Benzonitrile,p-bromo-;4-Bromobenzonitrile;p-Bromobenzonitrile;1-Bromo-4-cyanobenzene;p-Cyanophenyl bromide;p-Bromocyanobenzene;4-Bromocyanobenzene;4-Cyanophenyl bromide;p-Cyanobromobenzene;NSC 3978;4-Cyanobromobenzene;4-Bromophenylcarbonitrile;4-Bromophenyl cyanide;4-Cyano-1-bromobenzene;1-Bromo-4-benzonitrile;1-Cyano-4-bromobenzene;4-Bromobenzenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

4-Bromobenzonitrile is white to light yellow powder or flakes

4-Bromobenzonitrile Basic Attributes

Molecular Weight：

182.02

Exact Mass：

182.02

EC Number：

210-764-9

NSC Number：

3978

DSSTox ID：

DTXSID60211352

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.6

Appearance：

white to light yellow powder or flakes

Density：

1.6±0.1 g/cm3

Melting Point：

114 °C

Boiling Point：

236 °C

Flash Point：

97.0±19.8 °C

Refractive Index：

1.606

Water Solubility：

Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.

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：

6.1

safety instructions：

S61-S36/37/39-S26

RTECS Number：

DI2460000

Marks：

Xn:Harmful

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (94.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, 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 54 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-bromo benzonitrile

4-Bromobenzonitrile Use and Manufacturing

4- Bromobenzonitrile is classified as organic nitriles, which are commonly use solvents and are reacted further for various applications such as manufacture of polymers and intermediates for pharmaceu ticals and other organic chemicals,

Computed Properties

Molecular Weight:182.02
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:180.95271
Monoisotopic Mass:180.95271
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Benzonitrile

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