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CAS 79676-58-7

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2-[(Difluoromethyl)sulfonyl]benzoic acid

Description:
2-[(Difluoromethyl)sulfonyl]benzoic acid, with the CAS number 79676-58-7, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a difluoromethylsulfonyl group. This compound typically exhibits a white to off-white solid appearance and is soluble in polar organic solvents. The difluoromethyl group contributes to its unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The sulfonyl functional group enhances its acidity and can participate in various chemical reactions, making it a versatile intermediate in organic synthesis. Additionally, the presence of fluorine atoms often imparts distinct electronic properties, influencing the compound's biological activity and interaction with biological targets. Safety data should be consulted for handling, as compounds with sulfonyl and fluorinated groups can pose specific health and environmental risks. Overall, 2-[(Difluoromethyl)sulfonyl]benzoic acid is a notable compound in the field of organic chemistry with potential applications in drug development and synthesis.
Formula:C8H6F2O4S
InChI:InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)
InChI key:InChIKey=XLEBSMWWVRWRTM-UHFFFAOYSA-N
SMILES:S(C(F)F)(=O)(=O)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • Benzoic acid, 2-[(difluoromethyl)sulfonyl]-
  • 2-Difluoromethanesulfonylbenzoic acid
  • 2-[(Difluoromethyl)sulfonyl]benzoic acid
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