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CAS 69922-26-5

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4-Chloro-2-fluorophenyl isocyanate

Description:
4-Chloro-2-fluorophenyl isocyanate is an organic compound characterized by the presence of both an isocyanate functional group and a substituted aromatic ring. Its molecular structure includes a phenyl ring with a chlorine atom at the para position and a fluorine atom at the ortho position relative to the isocyanate group. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in nucleophilic addition reactions, making it useful in the synthesis of various pharmaceuticals and agrochemicals. The presence of the isocyanate group contributes to its potential as a building block in organic synthesis, while the halogen substituents can influence its reactivity and solubility in different solvents. Due to its chemical properties, 4-Chloro-2-fluorophenyl isocyanate should be handled with care, as it may be toxic and irritant, necessitating appropriate safety precautions during use and storage.
Formula:C7H3ClFNO
InChI:InChI=1S/C7H3ClFNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI key:InChIKey=HHFPUBQPIUYQJW-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(F)C=C(Cl)C=C1
Synonyms:
  • 4-Chloro-2-fluoro-1-isocyanatobenzene
  • 4-Chloro-2-fluorophenyl isocyanate
  • Benzene, 4-chloro-2-fluoro-1-isocyanato-
  • 2-Fluoro-4-chlorophenyl isocyanate
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