3-(Methylsulfonyl)benzoic acid

CAS: 5345-27-7

Ref. 3D-FM140197

Product Information

• Name: 3-(Methylsulfonyl)benzoic acid
• Synonyms: Benzoic acid, 3-(methylsulfonyl)-, (6Z)-6-({[4-(1H-benzimidazol-2-yl)phenyl]amino}methylidene)-4,5-dibromo-2-ethoxycyclohexa-2,4-dien-1-one, 3-(Methylsulfonyl)Benzoate, 3-Methylsulfonylbenzoic acid, m-Methylsulfonylbenzoic acid

Description

3-(Methylsulfonyl)benzoic acid is a synthetic compound that is an analog of the natural product methyl salicylate. It is a white, crystalline solid that has a constant melting point of 209-210°C. 3-(Methylsulfonyl)benzoic acid can be used as a flavoring agent in foods and drinks. It has been shown to inhibit cyclooxygenase-2 (COX-2) activity in vitro, suggesting that it may also have anti-inflammatory properties. This drug has shown no toxicity in mice, but should not be administered to pregnant women or children due to its potential effects on fetal development.

• Brand: Biosynth

Chemical properties

• Molecular weight: 200.21 g/mol
• Formula: C₈H₈O₄S
• Purity: Min. 95%
• InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
• InChI key: InChIKey=KUTBMATZUQWFSR-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)c1cccc(C(=O)O)c1