4-Bromobenzonitrile

Basic Information

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CAS Number

623-00-7

Molecular Formula

C7H4BrN

Molecular Weight

182.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

111.0 to 114.0 deg-C

Boiling Point

236°C

Density

1.562

Water Solubility

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

Flash Point

130°C

Solubility

0.2g/l

Refractive Index

1.5999 (estimate)

SMILES

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C1=CC(=CC=C1C#N)Br

InChI

InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChIKey

HQSCPPCMBMFJJN-UHFFFAOYSA-N

LogP

2.32078

Complexity

127

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-cyanophenyl bromide
Z55928801
4-bromobenzonitirle
NSC-3978
4-bromo-4'-cyanobenzene
NSC 3978
4bromobenzonitrile
CHEMBL3248210
CS-W004663
F0001-1666
PB43177
Benzonitrile, 4-bromo-
Benzonitrile, 4-bromo-;p-Bromobenzonitrile;4-Cyanophenyl bromide
4-Bromocyanobenzene
AM20040887
4-cyano-bromobenzene
EINECS 210-764-9
1-Bromo-4-cyanobenzene
4-Bromobenzonitrile, 99%
AC-16961
AI3-00488
AKOS001061123
A833698
4-Bromobenzoic acid nitrile
W-105018
FT-0617867
32L8XG37J4
4-bromo benzonitrile
4-bromanylbenzenecarbonitrile
p-Bromobenzonitrile
Q63408716

MDL Number

MFCD00001811

Customs Code

29269095

FAQ

What is 4-Bromobenzonitrile (CAS: 623-00-7)?

4-Bromobenzonitrile is an organic compound with the chemical formula C7H5BrN. It is a derivative of benzene containing a bromine atom and a nitrile group at the 4-position. This compound is known for its aromatic structure and is commonly used in chemical synthesis. Its physical properties include a high melting point and low solubility in water.

What are the main uses of 4-Bromobenzonitrile (CAS: 623-00-7)?

4-Bromobenzonitrile is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It finds applications in research for developing new materials and compounds. Additionally, it is used in industrial processes for functional group modifications and in organic chemistry laboratories for reaction studies.

Is 4-Bromobenzonitrile (CAS: 623-00-7) safe?

4-Bromobenzonitrile is considered hazardous due to its potential toxicity. It should be handled with care, using appropriate personal protective equipment. Safety standards recommend avoiding inhalation, skin contact, and ingestion. Proper ventilation and storage are essential to minimize exposure risks.

How should 4-Bromobenzonitrile (CAS: 623-00-7) be stored?

4-Bromobenzonitrile should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to moisture and incompatible substances to ensure stability and safety during storage.