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CAS 79676-56-5

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2-(Difluoromethylthio)benzoic acid

Description:
2-(Difluoromethylthio)benzoic acid, with the CAS number 79676-56-5, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a difluoromethylthio group. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, though its solubility in water may be limited due to the hydrophobic nature of the aromatic ring and the sulfur-containing substituent. The difluoromethylthio group introduces unique electronic and steric properties, which can influence the compound's reactivity and interactions in chemical processes. As a benzoic acid derivative, it possesses acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. The presence of fluorine atoms can enhance lipophilicity and potentially affect biological activity, making this compound of interest in pharmaceutical and agrochemical research. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C8H5ClF2OS
InChI:InChI=1/C8H5ClF2OS/c9-7(12)5-3-1-2-4-6(5)13-8(10)11/h1-4,8H
SMILES:c1ccc(c(c1)C(=O)Cl)SC(F)F
Synonyms:
  • 2-[(Difluoromethyl)Sulfanyl]Benzoate
  • 2-[(Difluoromethyl)Sulfanyl]Benzoic Acid
  • 2-[(Difluoromethyl)Sulfanyl]Benzoyl Chloride
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