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CAS 404-71-7

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3-Fluorophenyl isocyanate

Description:
3-Fluorophenyl isocyanate is an organic compound characterized by the presence of both an isocyanate functional group and a fluorine atom attached to a phenyl ring. Its molecular structure consists of a phenyl group with a fluorine substituent at the meta position relative to the isocyanate group (-N=C=O). This compound is typically a colorless to pale yellow liquid with a pungent odor, and it is known for its reactivity, particularly in forming ureas and carbamates through nucleophilic addition reactions with amines and alcohols. 3-Fluorophenyl isocyanate is used in organic synthesis and can serve as an intermediate in the production of pharmaceuticals and agrochemicals. It is important to handle this compound with care, as isocyanates are known to be toxic and can cause respiratory irritation and sensitization. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area or fume hood, are essential when working with this substance.
Formula:C7H4FNO
InChI:InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI key:InChIKey=RIKWVZGZRYDACA-UHFFFAOYSA-N
SMILES:N(=C=O)C1=CC(F)=CC=C1
Synonyms:
  • 1-Fluoro-3-Isocyanatobenzene
  • 1-Isocyanato-3-fluorobenzene
  • 3-Flurophenyl isocyanate
  • Benzene, 1-fluoro-3-isocyanato-
  • Isocyanic acid, 3-fluorophenyl ester
  • Isocyanic acid, m-fluorophenyl ester
  • m-Fluorophenyl isocyanate
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