2-(Bromomethyl)-3-chlorobenzonitrile

Basic Information

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CAS Number

77533-18-7

Molecular Formula

C8H5BrClN

Molecular Weight

230.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

279.7°C at 760 mmHg

Density

1.63

Flash Point

122.9°C

Refractive Index

1.604

SMILES

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C1=CC(=C(C(=C1)Cl)CBr)C#N

InChI

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

InChIKey

ZZBRTAXRIKBTMY-UHFFFAOYSA-N

LogP

3.10658

Complexity

174

Synonyms & References

English

2-bromomethyl-3-chloro-benzonitrile
N-Benzyl4-bromobenzenesulfonamide
A9815
FT-0651221
2-Bromomethyl-3-Chlorobenzonitrile
2-chloro-6-cyanobenzyl bromide
AKOS005259305
MFCD12025410
CL8700
CDA53318
CS-0041834
ZZBRTAXRIKBTMY-UHFFFAOYSA-N
EN300-5655187
DTXSID30566442
77533-18-7
DS-17922
Benzonitrile, 2-(bromomethyl)-3-chloro-
2-(bromomethyl)-3-chlorobenzonitrile
SCHEMBL4145151
2-cyano-6-chlorobenzylbromide
2-(Bromomethyl)-3-chlorobenzonitrile
2-Bromomethyl-3-chlorobenzonitrile
2-Chloro-6-cyanobenzyl bromide
Benzonitrile,2-(bromomethyl)-3-chloro-
3-Chloro-2-(bromomethyl)benzonitrile
2158AC
FCH1409214
AS02601
2-Bromomet?hyl-3-chlo?robenzonit?rile

MDL Number

MFCD12025410

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7)?

2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7) is a crystalline solid with a molecular weight of approximately 248.01 g/mol. It has a low water solubility but is soluble in common organic solvents like dichloromethane and acetone. The compound is moderately reactive, especially towards nucleophiles, and exhibits亲电性 towards electrophiles. It is stable under normal conditions but requires handling with care due to its halogen-containing nature.

How is 2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7) typically synthesized?

2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7) can be synthesized via the reaction of 3-chlorobenzonitrile with bromomethyl ketone. This process typically involves heating the reactants in the presence of a catalyst such as a Lewis acid. The reaction is selective and yields a high purity product with good yield under appropriate reaction conditions.

What industries use 2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7)?

2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7) is used in various industries, including pharmaceuticals for the synthesis of certain pharmaceutical intermediates, and in the production of materials for sensors and semiconductors. It is also utilized in polymer research for developing novel materials with specific properties.

What precautions should be taken when handling 2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7)?

When handling 2-(Bromomethyl)-3-chlorobenzonitrile (CAS: 77533-18-7), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat to prevent skin and eye contact. The compound should be stored in a closed container, away from heat and direct sunlight. In case of a spill, it should be handled with appropriate cleanup procedures, and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed handling and emergency procedures.