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CAS 20884-63-3

:

2-[(1-Methylethyl)sulfonyl]benzoic acid

Description:
2-[(1-Methylethyl)sulfonyl]benzoic acid, also known by its CAS number 20884-63-3, is an organic compound characterized by its sulfonyl and carboxylic acid functional groups. This compound features a benzoic acid moiety, which is a benzene ring with a carboxylic acid (-COOH) group, and a sulfonyl group (-SO2-) attached to an isopropyl group (1-methylethyl). The presence of the sulfonyl group enhances its solubility in polar solvents and may contribute to its reactivity in various chemical reactions. This compound is typically a solid at room temperature and may exhibit moderate to high melting points due to the presence of hydrogen bonding between carboxylic acid groups. It is often used in organic synthesis and may have applications in pharmaceuticals or agrochemicals. As with many sulfonic acid derivatives, it may exhibit acidic properties, making it useful in various chemical processes. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C10H12O4S
InChI:InChI=1S/C10H12O4S/c1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI key:InChIKey=OCZDZBRGVFNGGU-UHFFFAOYSA-N
SMILES:S(C(C)C)(=O)(=O)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • 2-Propan-2-ylsulfonylbenzoic acid
  • Benzoic acid, 2-[(1-methylethyl)sulfonyl]-
  • 2-[(1-Methylethyl)sulfonyl]benzoic acid
  • 2-(Propane-2-sulfonyl)benzoic acid
  • Benzoic acid, o-(isopropylsulfonyl)-
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