Pentafluorophenyl isocyanate

CAS Registry Number®

1591-95-3
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CAS Name

Pentafluorophenyl isocyanate

Molecular Formula

C7F5NO

Molecular Mass

209.07

Cite this Page

Pentafluorophenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1591-95-3 (retrieved 2024-05-03) (CAS RN: 1591-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    58-59 °C @ Press: 25 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

InChIKey

InChIKey=QXLDBWRLZDBVGF-UHFFFAOYSA-N

SMILES

N(=C=O)C1=C(F)C(F)=C(F)C(F)=C1F

Canonical SMILES

O=C=NC=1C(F)=C(F)C(F)=C(F)C1F

Other Names for this Substance

  • Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-
  • Isocyanic acid, pentafluorophenyl ester
  • Benzene, pentafluoroisocyanato-
  • 1,2,3,4,5-Pentafluoro-6-isocyanatobenzene
  • Perfluorophenyl isocyanate

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