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CAS 1159512-54-5

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2-Chloro-6-[(trifluoromethyl)thio]benzonitrile

Description:
2-Chloro-6-[(trifluoromethyl)thio]benzonitrile is an organic compound characterized by its aromatic structure, which includes a chlorinated benzene ring and a nitrile functional group. The presence of a trifluoromethylthio group introduces significant electronegativity and lipophilicity, influencing the compound's reactivity and solubility. This compound typically exhibits a high degree of stability due to the strength of the carbon-fluorine bonds in the trifluoromethyl group. It is likely to be a solid at room temperature, with potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The chlorine atom and the trifluoromethylthio group can enhance the compound's biological activity, making it of interest in medicinal chemistry. Additionally, the nitrile group contributes to its polar character, which can affect its interactions in various chemical environments. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.
Formula:C8H3ClF3NS
InChI:InChI=1S/C8H3ClF3NS/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3H
InChI key:InChIKey=DIFWHVKWCOWITG-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)C1=C(C#N)C(Cl)=CC=C1
Synonyms:
  • 2-Chloro-6-[(trifluoromethyl)thio]benzonitrile
  • Benzonitrile, 2-chloro-6-[(trifluoromethyl)thio]-
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