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CAS 176309-00-5

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4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid

Description:
4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid 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. The presence of the chloro substituent introduces a halogen, which can influence the compound's reactivity and polarity. The methylsulfonyl group contributes to the compound's solubility in polar solvents and may enhance its biological activity. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its functional groups suggest potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the benzoic acid structure, which is often associated with various biological activities. Additionally, the compound's molecular structure may allow for interactions with biological targets, making it of interest in medicinal chemistry. Safety data should be consulted for handling and usage, as the presence of chlorine and sulfonyl groups may pose specific hazards.
Formula:C9H9ClO4S
InChI:InChI=1S/C9H9ClO4S/c1-5-3-7(10)8(15(2,13)14)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=YGYZEHXIHONBML-UHFFFAOYSA-N
SMILES:S(C)(=O)(=O)C1=CC(C(O)=O)=C(C)C=C1Cl
Synonyms:
  • 4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid
  • 2-Methyl-4-chloro-5-methyl-sulfonylbenzoic acid
  • Benzoic acid, 4-chloro-2-methyl-5-(methylsulfonyl)-
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