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CAS 1544-68-9

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4-Fluorophenyl isothiocyanate

Description:
4-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 para position relative to the isothiocyanate group. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. It is known for its use in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The isothiocyanate functional group is highly reactive, allowing for nucleophilic addition reactions, which makes it valuable in the synthesis of thioureas and other derivatives. Additionally, 4-fluorophenyl isothiocyanate exhibits biological activity, which has been explored in various research contexts, including its potential as a reagent in biochemical assays. As with many isothiocyanates, it should be handled with care due to its potential toxicity and irritant properties.
Formula:C7H4FNS
InChI:InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI key:InChIKey=NFIUJHJMCQQYDL-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC=C(F)C=C1
Synonyms:
  • 1-Fluoro-4-isothiocyanatobenzene
  • 1-Isothiocyanato-4-fluorobenzene
  • 2,2-Difluoro-1,3-Benzodioxol-5-Amine
  • 4-Fluoroisothiocyanatobenzene
  • Benzene, 1-fluoro-4-isothiocyanato-
  • Isothiocyanic acid, p-fluorophenyl ester
  • NSC 78433
  • p-Fluorophenyl isothiocyanate
  • 4-Fluorophenyl isothiocyanate
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