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CAS 302912-43-2

:

1-fluoro-4-isothiocyanato-2-(trifluoromethyl)benzene

Description:
1-Fluoro-4-isothiocyanato-2-(trifluoromethyl)benzene is an organic compound characterized by the presence of a fluorine atom, an isothiocyanate functional group, and a trifluoromethyl group attached to a benzene ring. The molecular structure features a benzene core with substituents that significantly influence its chemical properties. The isothiocyanate group (-N=C=S) is known for its reactivity, particularly in nucleophilic addition reactions, making this compound potentially useful in various synthetic applications. The trifluoromethyl group (-CF3) enhances the compound's lipophilicity and can affect its electronic properties, often increasing stability and altering reactivity. The presence of the fluorine atom can also influence the compound's polarity and solubility in different solvents. Overall, this compound may exhibit unique characteristics such as high thermal stability and potential biological activity, making it of interest in fields like medicinal chemistry and materials science. However, specific safety and handling precautions should be observed due to the potential toxicity associated with isothiocyanates.
Formula:C8H3F4NS
InChI:InChI=1/C8H3F4NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI key:InChIKey=QBKIGUJFPYMZPS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N=C=S)=CC=C1F
Synonyms:
  • 1-Fluoro-2-trifluoromethyl-4-isothiocyanatobenzene
  • Benzene, 1-fluoro-4-isothiocyanato-2-(trifluoromethyl)-
  • 1-Fluoro-4-isothiocyanato-2-(trifluoromethyl)benzene
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