3-(Trifluoromethyl)phenyl isocyanate

CAS Registry Number®

329-01-1

CAS Name

3-(Trifluoromethyl)phenyl isocyanate

Molecular Formula

C8H4F3NO

Molecular Mass

187.12

Cite this Page

3-(Trifluoromethyl)phenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=329-01-1 (retrieved 2024-11-24) (CAS RN: 329-01-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    54 °C @ Press: 11 Torr

  • Density (2)

    1.3455 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H

InChIKey

InChIKey=SXJYSIBLFGQAND-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=CC(=C1)C(F)(F)F

Other Names for this Substance

  • Benzene, 1-isocyanato-3-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-m-tolyl ester
  • 1-Isocyanato-3-(trifluoromethyl)benzene
  • m-(Trifluoromethyl)phenyl isocyanate
  • 3-(Trifluoromethyl)phenyl isocyanate

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