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CAS 82174-09-2

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3-[(Trifluoromethyl)thio]benzeneacetonitrile

Description:
3-[(Trifluoromethyl)thio]benzeneacetonitrile, with the CAS number 82174-09-2, is an organic compound characterized by the presence of a trifluoromethylthio group attached to a benzene ring, along with an acetonitrile functional group. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can influence its reactivity and interactions in various chemical environments. The trifluoromethylthio moiety is known for its electron-withdrawing properties, which can enhance the acidity of adjacent hydrogen atoms and affect the compound's overall stability and reactivity. Additionally, the presence of the acetonitrile group contributes to its polar characteristics, making it soluble in polar solvents. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic applications. As with many organofluorine compounds, it may exhibit unique properties that warrant further investigation in terms of its environmental impact and safety profile.
Formula:C9H6F3NS
InChI:InChI=1/C9H6F3NS/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI key:InChIKey=KAWIEADJQRWSEU-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)C1=CC(CC#N)=CC=C1
Synonyms:
  • 2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile
  • 2-[3-(Trifluoromethylsulfanyl)phenyl]acetonitrile
  • 3-[(Trifluoromethyl)thio]benzeneacetonitrile
  • Benzeneacetonitrile, 3-[(trifluoromethyl)thio]-
  • {3-[(Trifluoromethyl)Sulfanyl]Phenyl}Acetonitrile
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