2-Chloro-3-methylbenzonitrile

Basic Information

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CAS Number

15013-71-5

Molecular Formula

C8H6ClN

Molecular Weight

140.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C(C(=CC=C1)C#N)Cl

InChI

InChI=1S/C8H6ClN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3

InChIKey

RBHUDDGPJRWBTF-UHFFFAOYSA-N

LogP

2.9568400000000015

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

158

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A3301
2-cyano-6-methylchlorobenzene
FS-2404
RBHUDDGPJRWBTF-UHFFFAOYSA-N
CS-0205189
FT-0651194
CL8159
W-205702
BENZONITRILE, 2-CHLORO-3-METHYL-
DTXSID00561303
2-Chloro-3-methylbenzonitrile
SCHEMBL1344112
15013-71-5
MFCD09025676
2-Chloro-3-methyl-benzonitrile
AM84104
AKOS006290806
Benzonitrile, 2-chloro-3-methyl-
-CHLORO-3-METHYLBENZONITRILE
2-Cyano-6-methylchlorobenzene
2-chloro-3-methylbenzonitrile

MDL Number

MFCD09025676

FAQ

What are the physical and chemical properties of 2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5)?

2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5) is a colorless to light yellow liquid with a molecular weight of approximately 168.04 g/mol. It has a low solubility in water but is readily soluble in organic solvents like ethanol and acetone. It is moderately reactive, especially towards nucleophiles, and can undergo substitution and addition reactions. It crystallizes in the monoclinic system at low temperatures.

How is 2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5) typically synthesized?

2-Chloro-3-methylbenzonitrile is typically synthesized via the reaction of chloromethylbenzene with sodium cyanide in an aprotic solvent like dimethylformamide (DMF) under basic conditions. The reaction is exothermic and requires careful temperature control to achieve high yields and selectivity. The process is catalyzed by a base such as potassium carbonate.

What industries use 2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5)?

2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving nitrile functionalities. It also finds applications in the polymer industry as a monomer for the production of various plastic materials. Additionally, it is used in the production of electronic materials and in environmental applications due to its reactivity.

What precautions should be taken when handling 2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5)?

Handling 2-Chloro-3-methylbenzonitrile (CAS: 15013-71-5) requires appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up carefully, and all materials should be disposed of according to local regulations. The safety data sheet (SDS) should be consulted for specific handling and storage guidelines.