2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride

Basic Information

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CAS Number

405264-04-2

Molecular Formula

C7H3ClF4O2S

Molecular Weight

262.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

251 ºC

Flash Point

105 ºC

SMILES

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Fc1cccc(c1S(=O)(=O)Cl)C(F)(F)F

InChI

InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-4(7(10,11)12)2-1-3-5(6)9/h1-3H

InChIKey

VVCAQQGQZZLRJK-UHFFFAOYSA-N

LogP

2.7720000000000002

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

Benzenesulfonyl chloride, 2-fluoro-6-(trifluoromethyl)-
2-fluoro-6-(trifluoroMethyl)benzene-1-sulfonyl chloride
2-fluoro-6-trifluoromethylbenzenesulfonyl chloride

MDL Number

MFCD12032173

FAQ

What are the physical and chemical properties of 2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride (CAS: 405264-04-2)?

2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride is a crystalline solid with a molecular weight of approximately 323.09 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. This compound is highly reactive, particularly towards nucleophiles and bases, making it a key reagent in organic synthesis.

How is 2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride (CAS: 405264-04-2) typically synthesized?

2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride is typically synthesized via the chlorosulfonylation of 2-fluoro-6-(trifluoromethyl)benzene using thionyl chloride. The reaction is conducted in a solvent such as dichloromethane, and the process involves careful control of temperature to ensure selectivity and yield.

What industries use 2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride (CAS: 405264-04-2)?

2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride is used in the pharmaceutical industry for the synthesis of complex organic molecules, in polymer chemistry for the modification of functional groups, and in semiconductor and sensor technologies for its unique electronic and chemical properties.

What precautions should be taken when handling 2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride (CAS: 405264-04-2)?

When handling 2-Fluoro-6-(trifluoromethyl)benzenesulfonyl chloride, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be used in a well-ventilated area, preferably a fume hood, to minimize inhalation risk. Spills should be handled carefully, and the SDS (Safety Data Sheet) should be consulted for specific procedures.