CAS 1209-81-0

2-[(Carboxymethyl)sulfonyl]benzoic acid

Description:

2-[(Carboxymethyl)sulfonyl]benzoic acid, also known by its CAS number 1209-81-0, is an organic compound characterized by the presence of both a carboxylic acid and a sulfonyl group attached to a benzene ring. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the polar nature of its functional groups. Its molecular structure includes a benzoic acid moiety with a carboxymethylsulfonyl substituent, which contributes to its potential applications in various fields, including pharmaceuticals and biochemistry. The sulfonyl group enhances its reactivity and solubility, making it useful in synthesis and as a reagent. Additionally, the compound may exhibit biological activity, which can be explored for therapeutic purposes. As with many organic acids, it may have acidic properties, influencing its behavior in chemical reactions and interactions with other substances. Proper handling and storage are essential due to its chemical nature and potential reactivity.

Formula: C₉H₈O₆S

InChI: InChI=1S/C9H8O6S/c10-8(11)5-16(14,15)7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChI key: InChIKey=STPWPICGADJXAM-UHFFFAOYSA-N

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

Synonyms:

• 2-[(Carboxymethyl)sulfonyl]benzoic acid
• 2-(Carboxymethanesulfonyl)benzoic acid
• Benzoic acid, o-[(carboxymethyl)sulfonyl]-
• Benzoic acid, 2-[(carboxymethyl)sulfonyl]-
• 2-Carboxymethanesulfonyl-benzoic acid