Description

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid (CAS No. 106904-09-0) is a high-purity organic compound with the molecular formula C₉H₉ClO₄S. This benzoic acid derivative features a chloro substituent at the 2-position, a methyl group at the 3-position, and a methylsulfonyl moiety at the 4-position, making it a valuable intermediate in synthetic organic chemistry. Its IUPAC name is 2-chloro-3-methyl-4-methylsulfonylbenzoic acid. This compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. It is soluble in polar organic solvents such as DMSO, methanol, and acetonitrile, but exhibits limited solubility in water. Store in a cool, dry place (2-8°C) under inert atmosphere to maintain stability. Suitable for use in pharmaceutical research, agrochemical development, and material science applications.

Properties

• CAS Number: 106904-09-0
• Complexity: 346
• IUPAC Name: 2-chloro-3-methyl-4-methylsulfonyl-benzoic acid
• InChI: InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
• InChI Key: RRFGGUXLGOVPOP-UHFFFAOYSA-N
• Exact Mass: 247.9910076
• Molecular Formula: C9H9ClO4S
• Molecular Weight: 248.68
• SMILES: CC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C
• Topological: 79.8
• Monoisotopic Mass: 247.9910076
• Synonyms: 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid, 106904-09-0, EC 600-786-0, 600-786-0, 2-chloro-3-methyl-4-methylsulfonylbenzoic acid, Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-, MFCD28291815, SCHEMBL4032987, DTXSID70558068, AKOS024438283, AS-33370, SY103773, CS-0153667, NS00006118, 2-Chloro-3-methyl-4-(methylsulfonyl)benzoicacid, 2-Chloro-4-(methanesulfonyl)-3-methylbenzoic acid

Application

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid serves as a key building block in the synthesis of bioactive molecules, particularly in pharmaceutical and agrochemical research. Its reactive carboxylic acid and sulfonyl groups make it valuable for constructing heterocyclic compounds and sulfonamide derivatives. Researchers utilize this compound in medicinal chemistry for developing enzyme inhibitors and receptor modulators. In material science, it finds application as a precursor for functionalized polymers and advanced organic materials.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.