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CAS 53250-83-2

:

2-Chloro-4-(methylsulfonyl)benzoic acid

Description:
2-Chloro-4-(methylsulfonyl)benzoic acid, with the CAS number 53250-83-2, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chlorine atom and a methylsulfonyl group. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. Its molecular structure contributes to its potential applications in pharmaceuticals and agrochemicals, particularly as an intermediate in the synthesis of various biologically active compounds. The presence of the chloro and methylsulfonyl groups enhances its reactivity and may influence its biological activity, making it a subject of interest in medicinal chemistry. Additionally, the compound's acidity is attributed to the carboxylic acid functional group, which can participate in various chemical reactions, including esterification and amidation. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C8H7ClO4S
InChI:InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI key:InChIKey=CTTWSFIIFMWHLQ-UHFFFAOYSA-N
SMILES:S(C)(=O)(=O)C1=CC(Cl)=C(C(O)=O)C=C1
Synonyms:
  • 2-Chloro-4-(methylsulfonyl)benzoic acid
  • 2-Chloro-4-methylsulphonylbenzoic acid
  • Benzoic acid, 2-chloro-4-(methylsulfonyl)-
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