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CAS 1301739-15-0

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3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile

Description:
3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile is an organic compound characterized by the presence of a benzene ring substituted with both a trifluoromethyl group and a sulfonyl group, as well as an acetonitrile moiety. The trifluoromethyl group contributes to the compound's high electronegativity and lipophilicity, which can enhance its reactivity and solubility in organic solvents. The sulfonyl group typically imparts strong electron-withdrawing properties, influencing the compound's chemical behavior and potential applications in synthesis and pharmaceuticals. The acetonitrile part of the molecule adds a nitrile functional group, which is known for its polar nature and ability to participate in various chemical reactions, including nucleophilic additions. Overall, this compound may exhibit unique physical and chemical properties, such as stability under certain conditions, and could be of interest in fields like medicinal chemistry, agrochemicals, or materials science due to its potential reactivity and functional versatility.
Formula:C9H6F3NO2S
InChI:InChI=1S/C9H6F3NO2S/c10-9(11,12)16(14,15)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI key:InChIKey=KVXGLHGFFPDFCE-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)(=O)(=O)C1=CC(CC#N)=CC=C1
Synonyms:
  • Benzeneacetonitrile, 3-[(trifluoromethyl)sulfonyl]-
  • 3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile
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