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CAS 1591-95-3

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Pentafluorophenyl isocyanate

Description:
Pentafluorophenyl isocyanate is an organic compound characterized by its distinctive pentafluorophenyl group, which consists of a phenyl ring with five fluorine atoms substituting hydrogen atoms, and an isocyanate functional group (-N=C=O). This compound is known for its high reactivity, particularly due to the presence of the isocyanate group, which can readily participate in nucleophilic addition reactions. The fluorinated aromatic ring imparts unique electronic properties, enhancing its reactivity and making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. Pentafluorophenyl isocyanate is typically a colorless to pale yellow liquid and is soluble in organic solvents. It is important to handle this compound with care, as it can be toxic and irritating to the skin, eyes, and respiratory system. 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:C7F5NO
InChI:InChI=1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChI key:InChIKey=QXLDBWRLZDBVGF-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonyms:
  • 1,2,3,4,5-Pentafluoro-6-Isocyanatobenzene
  • 2,3,4,5,6-PentafluoroPhenyl isocyanate
  • Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-
  • Benzene, pentafluoroisocyanato-
  • Isocyanic acid, pentafluorophenyl ester
  • Pentafluoroisocyanatobenzene
  • Pentafluorophenyl isocyanate
  • Perfluorophenyl isocyanate
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