4-(Chloromethyl)benzonitrile

Basic Information

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CAS Number

874-86-2

Molecular Formula

C8H6ClN

Molecular Weight

151.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78.0 to 82.0 deg-C

Boiling Point

263°C

Density

1.1800

Flash Point

120.2±17.6 °C

Refractive Index

1.551

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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ClCc1ccc(C#N)cc1

InChI

InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

InChIKey

LOQLDQJTSMKBJU-UHFFFAOYSA-N

LogP

2.29708

Complexity

139

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 (6.1) Class 8 (6.1)

Synonyms & References

English

4-(Chloromethyl)benzonitrile
4-CYANOBENZYL CHLORIDE
AKOS B030136
ALPHA-CHLORO-P-TOLUNITRILE
P-(CHLOROMETHYL)BENZONITRILE
P-CYANOBENZYL CHLORIDE
Benzonitrile, 4-(chloromethyl)-
à-chloro-p-tolunitrile
p-Cyanobenzylchlorid
4-(Chloromethyl)tolunitrile
4-(chloromethyl)benzenecarbonitrile
4-(CHLOROMETHYL)-BENZONITRILE
4-(Chloromethyl)tolunitril
4-Chloromethylbenzonitrile
4-Chloromethyl-benzonitrile
α-Chloro-p-tolunitrile
4-(Chloromethyl)benzonitrile (ACI)
p-Tolunitrile, α-chloro- (6CI, 7CI, 8CI)
(4-Cyanophenyl)methyl chloride
4-(Chloromethyl)benzeneacetonitrile
4-Cyanobenzyl chloride
NSC 44855
NSC 6307
p-(Chloromethyl)benzonitrile
p-Cyanobenzyl chloride
α-Chloro-p-cyanotoluene
α-Chloro-p-toluonitrile

MDL Number

MFCD00019761

Customs Code

2926909090

FAQ

What is 4-(Chloromethyl)benzonitrile (CAS: 874-86-2)?

4-(Chloromethyl)benzonitrile is an organic compound with the chemical formula C8H6ClNO. It is a derivative of benzonitrile, featuring a chloromethyl group attached to the benzene ring. This compound is known for its aromatic character and reactivity, making it a valuable intermediate in chemical synthesis. It is a colorless to pale yellow liquid with a characteristic odor and is soluble in organic solvents.

What are the main uses of 4-(Chloromethyl)benzonitrile (CAS: 874-86-2)?

4-(Chloromethyl)benzonitrile is primarily used in the pharmaceutical industry as a building block for synthesizing various drugs and agrochemicals. It also finds applications in organic research for the development of new materials and compounds. Its reactivity makes it useful in industrial processes involving functional group modifications and cross-coupling reactions.

Is 4-(Chloromethyl)benzonitrile (CAS: 874-86-2) safe?

4-(Chloromethyl)benzonitrile is considered hazardous due to its potential toxicity. It may cause skin and eye irritation, and inhalation could lead to respiratory issues. Proper handling, including the use of personal protective equipment (PPE), is essential. Safety standards recommend working in well-ventilated areas and following OSHA guidelines to minimize exposure risks.

How should 4-(Chloromethyl)benzonitrile (CAS: 874-86-2) be stored?

4-(Chloromethyl)benzonitrile should be stored in a cool, dry, and dark place, ideally at 0-8°C. It requires airtight containers to prevent exposure to moisture and air. Due to its chemical reactivity, it is important to keep it away from incompatible materials and ensure proper labeling. Storage should follow standard chemical safety protocols to maintain stability and prevent degradation.