3-Fluorophenyl isocyanate

For research use only. Not for therapeutic Use.

  • CAT Number: R070614
  • CAS Number: 404-71-7
  • Molecular Formula: C7H4FNO
  • Molecular Weight: 137.11
  • Purity: ≥95%
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3-Fluorophenyl isocyanate(Cat No.:R070614)is an aromatic isocyanate featuring a fluorine atom at the meta (3-) position on the phenyl ring relative to the isocyanate group (–N=C=O). This compound is a valuable intermediate in the synthesis of ureas, carbamates, and heterocycles, frequently used in pharmaceutical, agrochemical, and material science applications. The fluorine substituent influences the compound’s electronic properties, enhancing its reactivity and modulating biological activity in target molecules. Its isocyanate functionality readily reacts with nucleophiles such as amines and alcohols, making it ideal for constructing functionalized aromatic derivatives and structure–activity relationship (SAR) studies.


CAS Number 404-71-7
Molecular Formula C7H4FNO
Purity ≥95%
Storage RT
IUPAC Name 1-fluoro-3-isocyanatobenzene
InChI InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey RIKWVZGZRYDACA-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)F)N=C=O
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