CAS 76503-37-2

3-(Aminocarbonyl)-4-methylbenzenesulfonyl chloride

Description:

3-(Aminocarbonyl)-4-methylbenzenesulfonyl chloride, with the CAS number 76503-37-2, is an organic compound characterized by its sulfonyl chloride functional group, which is known for its reactivity and utility in organic synthesis. This compound features a sulfonyl group attached to a benzene ring that also contains an amino carbonyl group and a methyl substituent. The presence of the sulfonyl chloride group makes it a potent electrophile, allowing it to participate in various nucleophilic substitution reactions. It is typically used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. The compound is likely to be a solid at room temperature, and it may be sensitive to moisture due to the reactive nature of the sulfonyl chloride group, which can hydrolyze to form the corresponding sulfonic acid. Proper handling and storage conditions are essential to maintain its stability and reactivity. Safety precautions should be observed, as sulfonyl chlorides can be corrosive and may cause irritation upon contact with skin or mucous membranes.

Formula: C₈H₈ClNO₃S

InChI: InChI=1S/C8H8ClNO3S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)

InChI key: InChIKey=FUNYLTYTTCGXAP-UHFFFAOYSA-N

SMILES: C(N)(=O)C1=CC(S(Cl)(=O)=O)=CC=C1C

Synonyms:

• Benzenesulfonyl chloride, 3-(aminocarbonyl)-4-methyl-
• 3-Carbamoyl-4-methylbenzene-1-sulfonyl chloride
• 3-(Aminocarbonyl)-4-methylbenzenesulfonyl chloride