4-(Bromomethyl)-2-chlorobenzonitrile

Basic Information

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CAS Number

83311-25-5

Molecular Formula

C8H5BrClN

Molecular Weight

219.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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BrCc1ccc(c(c1)Cl)C#N

InChI

InChI=1S/C8H5BrClN/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2

InChIKey

MOJPMYDXOHFFPF-UHFFFAOYSA-N

LogP

3.5433200000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

Benzonitrile, 4-(bromomethyl)-2-chloro-
4-(bromomethyl)-2-chloroBenzonitrile
4-(bromomethyl)-2-chlorobenzonitrile

MDL Number

MFCD18392461

FAQ

What are the physical and chemical properties of 4-(Bromomethyl)-2-chlorobenzonitrile (CAS: 83311-25-5)?

4-(Bromomethyl)-2-chlorobenzonitrile is a white crystalline solid with a molecular weight of approximately 271.01 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is reactive and undergoes substitution reactions readily, especially with nucleophiles.

How is 4-(Bromomethyl)-2-chlorobenzonitrile (CAS: 83311-25-5) typically synthesized?

4-(Bromomethyl)-2-chlorobenzonitrile is typically synthesized via a substitution reaction of 2-chlorobenzonitrile with bromomethyl ketone in the presence of a base such as potassium carbonate. The reaction is carried out in an organic solvent like acetonitrile, yielding a high selectivity and good yield.

What industries use 4-(Bromomethyl)-2-chlorobenzonitrile (CAS: 83311-25-5)?

4-(Bromomethyl)-2-chlorobenzonitrile is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of medicinals. It also finds applications in the production of polymers, sensors, and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 4-(Bromomethyl)-2-chlorobenzonitrile (CAS: 83311-25-5)?

When handling 4-(Bromomethyl)-2-chlorobenzonitrile, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to minimize inhalation exposure. Spills should be cleaned up carefully using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.