2-Bromobenzonitrile

Basic Information

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CAS Number

2042-37-7

Molecular Formula

C7H4BrN

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

53.0 to 56.0 deg-C

Boiling Point

251-253 °C

Solubility

10.5g/l

Refractive Index

1.5999 (estimate)

SMILES

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

InChI

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

InChIKey

AFMPMSCZPVNPEM-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

135

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-bromo benzonitrile
1-Bromo-2-cyanobenzene
A21012
Z57899728
B1369
o-Bromocyanobenzene
2-Bromobenzenecarbonitrile
EINECS 218-045-1
AKOS005366657
AC-2433
NSC-59730
W-107622
2-Bromobenzonitrile, 99%
PS-4959
BRN 2042185
SCHEMBL136719
2042-37-7
2-BROMOBENZONITRILE
InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4
AC-907/25014151
Benzonitrile, 2-bromo-
CS-W007475
2-bromo-benzonitrile
Benzonitrile, o-bromo-;o-bromo-benzonitril
o-Bromobenzonitrile
2-BROMOBENZONITRILE,
8LSJ4JR86W
BB 0268023
EN300-49152
MFCD00001772
NSC59730

MDL Number

MFCD00001772

Customs Code

2926909090

FAQ

What is 2-Bromobenzonitrile (CAS: 2042-37-7)?

2-Bromobenzonitrile is an organic compound with the chemical formula C7H5BrN. It is a brominated nitrile derivative of benzene, featuring a cyano group (-C≡N) and a bromine atom (-Br) attached to the aromatic ring. This compound is known for its aromatic character and reactivity, commonly used in chemical synthesis. Its CAS number is 2042-37-7.

What are the main uses of 2-Bromobenzonitrile (CAS: 2042-37-7)?

2-Bromobenzonitrile is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It also finds applications in organic chemistry research for functional group transformations and in industrial processes for producing dyes and polymers. Its CAS number is 2042-37-7.

Is 2-Bromobenzonitrile (CAS: 2042-37-7) safe?

2-Bromobenzonitrile is considered hazardous and should be handled with care. It may cause skin and eye irritation, and inhalation can be harmful. Safety standards recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation. Its CAS number is 2042-37-7.

How should 2-Bromobenzonitrile (CAS: 2042-37-7) be stored?

2-Bromobenzonitrile should be stored in a cool, dry, and well-ventilated area, away from light and incompatible materials. It is typically kept in a sealed container at temperatures below 25°C. Proper storage helps maintain its stability and prevents degradation. Its CAS number is 2042-37-7.