2-(Trifluoromethyl)phenyl isocyanate

CAS Registry Number®

2285-12-3

CAS Name

2-(Trifluoromethyl)phenyl isocyanate

Molecular Formula

C8H4F3NO

Molecular Mass

187.12

Cite this Page

2-(Trifluoromethyl)phenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2285-12-3 (retrieved 2024-11-24) (CAS RN: 2285-12-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    70-72 °C @ Press: 20 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GZWGTVZRRFPVAS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC=1C=CC=CC1C(F)(F)F

Other Names for this Substance

  • Benzene, 1-isocyanato-2-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-o-tolyl ester
  • 1-Isocyanato-2-(trifluoromethyl)benzene
  • 2-(Trifluoromethyl)phenyl isocyanate
  • o-(Trifluoromethyl)phenyl isocyanate

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