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CAS 1448317-68-7

:

Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-

Description:
The chemical substance known as "Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-" with CAS number 1448317-68-7 is a complex organic compound featuring a sulfate group and a pentafluorophenyl moiety. Its structure includes a carboxylate functional group, which contributes to its acidic properties, and a methyl group that can influence its solubility and reactivity. The presence of multiple fluorine atoms suggests that the compound may exhibit unique electronic properties, such as increased electronegativity and potential hydrophobic characteristics. This compound is likely to be soluble in polar solvents due to the sulfate and carboxylate groups, while the fluorinated portion may enhance its stability and resistance to degradation. The specific arrangement of functional groups indicates potential applications in fields such as pharmaceuticals, agrochemicals, or materials science, where tailored chemical properties are essential. Further studies would be necessary to fully understand its reactivity, stability, and potential applications.
Formula:C8H6F5O2S·H
InChI:InChI=1S/C8H7F5O2S/c1-5-2-6(8(14)15)4-7(3-5)16(9,10,11,12)13/h2-4H,1H3,(H,14,15)
InChI key:InChIKey=DHRPCCNJMXXYMQ-UHFFFAOYSA-N
SMILES:[S+6]([F-])([F-])([F-])([F-])([F-])[C-]=1C=C(C([O-])=O)C=C(C)C1.[H+]
Synonyms:
  • 3-Methyl-5-(pentafluoro-λ6-sulfanyl)benzoic acid
  • Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-
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