CAS 163295-77-0

4-(Methylsulfonyl)benzenemethanesulfonyl chloride

Description:

4-(Methylsulfonyl)benzenemethanesulfonyl chloride, with the CAS number 163295-77-0, is an organic compound characterized by the presence of both sulfonyl and chlorinated functional groups. This compound features a benzene ring substituted with a methylsulfonyl group and a methanesulfonyl chloride group, which contributes to its reactivity and potential applications in organic synthesis. It is typically a white to off-white solid, soluble in polar organic solvents, and exhibits properties typical of sulfonyl chlorides, such as being a strong electrophile. This makes it useful in various chemical reactions, particularly in the synthesis of sulfonamides and other sulfonyl-containing compounds. The presence of the sulfonyl groups enhances its ability to participate in nucleophilic substitution reactions. Due to its reactivity, it should be handled with care, as it can release hydrochloric acid upon hydrolysis. Safety precautions are essential when working with this compound, as it may cause irritation to the skin, eyes, and respiratory system.

Formula: C₈H₉ClO₄S₂

InChI: InChI=1S/C8H9ClO4S2/c1-14(10,11)8-4-2-7(3-5-8)6-15(9,12)13/h2-5H,6H2,1H3

InChI key: InChIKey=YDCXDGYRWAQPQZ-UHFFFAOYSA-N

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

Synonyms:

• 4-(Methylsulfonyl)benzenemethanesulfonyl chloride
• Benzenemethanesulfonyl chloride, 4-(methylsulfonyl)-
• (4-Methanesulfonylphenyl)methanesulfonyl chloride