Benzenesulfenyl chloride

Basic Information

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CAS Number

931-59-9

Molecular Formula

C6H5ClS

Molecular Weight

144.63 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

44 °C

Boiling Point

262 ºC

Density

1.25

Flash Point

110 ºC

SMILES

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C1=CC=C(C=C1)SCl

InChI

InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H

InChIKey

JWUKZUIGOJBEPC-UHFFFAOYSA-N

LogP

2.932500000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

59.5

Synonyms & References

English

Benzenesulfenylchloride
phenyl thiohypochlorite
Phenylchloro sulfide
Phenylsulfenylchloride
Phenyl-sulfoniumylidene Chloride
thiohypochlorous acid phenyl ester
Phenylsulphenyl chloride
Benzenesulfenyl chloride
Phenyl chloro sulfide
Phenylsulfenyl chloride
(Chlorosulfanyl)benzene
(Chlorothio)benzene
Benzene, (chlorothio)-
benzene sulfenyl chloride
SCHEMBL397524
931-59-9
DTXCID90402418
phenylsulfenyl chloride
DB-321394
(PHENYLSULFANYL)CHLORANE
J-523958
benzenesulfenyl chloride
phenyl sulfenyl chloride
DTXSID60451599

MDL Number

MFCD11850482

Customs Code

2930909090

FAQ

What are the physical and chemical properties of benzenesulfenyl chloride (CAS: 931-59-9)?

Benzenesulfenyl chloride (CAS: 931-59-9) is a white crystalline solid with a molecular weight of approximately 171.02 g/mol. It is insoluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, especially towards nucleophiles due to the electron-withdrawing nature of the sulfonyl chloride group.

How is benzenesulfenyl chloride (CAS: 931-59-9) typically synthesized?

Benzenesulfenyl chloride is typically synthesized by the reaction of benzene with thionyl chloride in the presence of a catalyst such as aluminum chloride. The process is conducted under mild conditions to achieve a high yield of the desired product with good selectivity.

What industries use benzenesulfenyl chloride (CAS: 931-59-9)?

Benzenesulfenyl chloride is used in various industries, including pharmaceuticals for organic synthesis, polymers for functionalization, sensors for chemical detection, and semiconductors for doping. It is a versatile reagent with applications in both research and manufacturing.

What precautions should be taken when handling benzenesulfenyl chloride (CAS: 931-59-9)?

When handling benzenesulfenyl chloride, wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Follow proper spill procedures and ensure all safety data sheets (SDS) are consulted for detailed instructions.