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CAS 38985-64-7

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2-Fluorophenyl isothiocyanate

Description:
2-Fluorophenyl isothiocyanate is an organic compound characterized by the presence of both a fluorine atom and an isothiocyanate functional group attached to a phenyl ring. Its molecular structure features a phenyl group substituted with a fluorine atom at the ortho position relative to the isothiocyanate group. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isothiocyanate functional group. It is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis and as a reagent in various chemical applications. The presence of the fluorine atom can influence the compound's reactivity and solubility in different solvents. 2-Fluorophenyl isothiocyanate is also of interest in medicinal chemistry and agrochemicals, where it may serve as a building block for more complex molecules. As with many isothiocyanates, it may exhibit biological activity, including potential antimicrobial or anticancer properties, although specific studies would be required to elucidate these effects.
Formula:C7H4FNS
InChI:InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI key:InChIKey=OAGDRIUTLPDSMJ-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(F)C=CC=C1
Synonyms:
  • 1-Fluoro-2-Isothiocyanatobenzene
  • 2-Fluoro-2-isothiocyanatobenzene
  • 2-Fluorophenyl isothiocyanate
  • Benzene, 1-fluoro-2-isothiocyanato-
  • Nsc 129257
  • o-Fluorophenyl isothiocyanate
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