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CAS 143782-23-4

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4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

Description:
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile, with the CAS number 143782-23-4, is an organic compound characterized by the presence of both isothiocyanate and trifluoromethyl functional groups attached to a benzene ring. This compound typically exhibits a high degree of reactivity due to the isothiocyanate group, which can participate in nucleophilic addition reactions and is known for its ability to form thioureas upon reaction with amines. The trifluoromethyl group contributes to the compound's lipophilicity and can influence its electronic properties, making it a valuable building block in medicinal chemistry and materials science. Additionally, the presence of the cyano group (nitrile) enhances its stability and can provide further reactivity in various chemical transformations. Overall, this compound is of interest in research fields such as agrochemicals, pharmaceuticals, and organic synthesis due to its unique structural features and potential applications.
Formula:C9H3F3N2S
InChI:InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChI key:InChIKey=TYXKOMAQTWRDCR-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C=CC(N=C=S)=C1
Synonyms:
  • 4-Cyano-3-(Trifluoromethyl)Phenyl Isothiocyanate
  • 4-Cyano-3-trifluoromethylphenylisothiocyanate
  • 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
  • 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile(for Enzalutamide)
  • 4-Isothiocyanato-2-trifluoromethylbenzonitrile
  • 4-Thioisocyanato-2-(trifluoromethyl)benzonitrile
  • Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-
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