(3-Cyanophenyl)methanesulfonyl chloride

Basic Information

View in Editor

CAS Number

56106-01-5

Molecular Formula

C8H6ClNO2S

Molecular Weight

215.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

100 °C

Boiling Point

364.54 °C at 760 mmHg

Density

1.459

Flash Point

174.268 °C

Refractive Index

1.586

SMILES

View in Editor

C1=CC(=CC(=C1)C#N)CS(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2

InChIKey

YNWYDZBBHOWDAE-UHFFFAOYSA-N

LogP

2.70768

Complexity

311

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

(3-Cyanophenyl)methanesulphonyl chloride
A870018
(3-cyanophenyl)methanesulfonyl chloride
DTXSID70588264
YNWYDZBBHOWDAE-UHFFFAOYSA-N
AKOS000130837
AB49597
(3-cyano-phenyl)methanesulfonyl chloride
CS-0453609
BP-10541
MFCD09046692
3-CYANOBENZYLSULFONYL CHLORIDE
SCHEMBL1500860
(3-cyanophenyl)methanesulfonylchloride
FT-0756246
Z316120018
3-(Cyano)benzylsulfonyl chloride
PS-10874
(3-cyano-phenyl)-methanesulfonyl chloride
EN300-36614
56106-01-5
(3-Cyanophenyl)methanesulfonyl chloride
3-cyanobenzylsulfonyl chloride
Benzenemethanesulfonylchloride, 3-cyano-
3-Cyanobenzylsulphonyl chloride

MDL Number

MFCD09046692

FAQ

What are the physical and chemical properties of (3-Cyanophenyl)methanesulfonyl chloride (CAS: 56106-01-5)?

(3-Cyanophenyl)methanesulfonyl chloride is a white to off-white crystalline solid with a molecular weight of approximately 248.18 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is highly reactive, particularly due to the presence of the electrophilic sulfonyl chloride group, which readily undergoes nucleophilic substitution reactions.

How is (3-Cyanophenyl)methanesulfonyl chloride (CAS: 56106-01-5) typically synthesized?

(3-Cyanophenyl)methanesulfonyl chloride is usually synthesized by the reaction of 3-cyanophenylmethanesulfonic acid with thionyl chloride. The reaction is typically carried out under anhydrous conditions and requires the use of a drying agent to minimize the presence of water, which can inhibit the reaction. The yield is generally high, and the product is isolated by recrystallization.

What industries use (3-Cyanophenyl)methanesulfonyl chloride (CAS: 56106-01-5)?

(3-Cyanophenyl)methanesulfonyl chloride is used in various industries, particularly in pharmaceuticals and organic synthesis. It serves as a key intermediate in the synthesis of various bioactive compounds and drugs. Additionally, it is used in the preparation of certain polymers and in the development of sensors and semiconductors due to its reactivity and functional groups.

What precautions should be taken when handling (3-Cyanophenyl)methanesulfonyl chloride (CAS: 56106-01-5)?

Proper handling of (3-Cyanophenyl)methanesulfonyl chloride requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to the volatile and potentially toxic fumes. Spills should be carefully cleaned up following standard laboratory procedures, and the material safety data sheet (MSDS) should be consulted for detailed information on safe handling and disposal.