CAS 87488-71-9

2-(4-Isoxazolyl)benzenesulfonyl chloride

Description:

2-(4-Isoxazolyl)benzenesulfonyl chloride, with the CAS number 87488-71-9, is a chemical compound characterized by its sulfonyl chloride functional group attached to a benzene ring that is further substituted with an isoxazole moiety. This compound typically appears as a solid or crystalline substance and is known for its reactivity, particularly due to the presence of the sulfonyl chloride group, which can participate in nucleophilic substitution reactions. It is often utilized in organic synthesis as a sulfonating agent or as an intermediate in the preparation of various pharmaceuticals and agrochemicals. The isoxazole ring contributes to the compound's unique properties, including potential biological activity. Safety precautions are necessary when handling this compound, as sulfonyl chlorides can be corrosive and may release toxic gases upon reaction with water or moisture. Overall, 2-(4-Isoxazolyl)benzenesulfonyl chloride is a valuable reagent in synthetic organic chemistry, particularly in the development of complex molecular architectures.

Formula: C₉H₆ClNO₃S

InChI: InChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-8(9)7-5-11-14-6-7/h1-6H

InChI key: InChIKey=HIJGTLBKCFNWSK-UHFFFAOYSA-N

SMILES: S(Cl)(=O)(=O)C1=C(C=CC=C1)C=2C=NOC2

Synonyms:

• 2-(4-Isoxazolyl)benzenesulfonyl chloride
• 2-(1,2-Oxazol-4-yl)benzene-1-sulfonyl chloride
• Benzenesulfonyl chloride, 2-(4-isoxazolyl)-
• 2-(Isoxazol-4-yl)benzene-1-sulfonyl chloride