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CAS 106904-09-0

:

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

Description:
2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid, with the CAS number 106904-09-0, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chlorine atom, a methyl group, and a methylsulfonyl group. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests that it may exhibit acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and nucleophilic substitution. The presence of the chlorine and methylsulfonyl groups can influence its reactivity and biological activity, potentially making it useful in pharmaceutical applications or as an intermediate in organic synthesis. Additionally, the compound's specific functional groups may impart unique properties, such as increased lipophilicity or altered metabolic pathways, which can be relevant in drug design and development. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or environmental impact.
Formula:C9H9ClO4S
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:InChIKey=RRFGGUXLGOVPOP-UHFFFAOYSA-N
SMILES:S(C)(=O)(=O)C1=C(C)C(Cl)=C(C(O)=O)C=C1
Synonyms:
  • 2-Chloro-3-methyl-4-methanesulfonyl benzoic acid
  • 2-Chloro-3-methyl-4-methylsulfonylbenzoic acid
  • 2-Chloro-4-methanesulfonyl-3-methylbenzoic acid
  • Benzoic Acid, 2-Chloro-3-Methyl-4-(Methylsulfonyl)-
  • 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
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