1-Isocyanato-4-(trichloromethyl)benzene

CAS Registry Number®

709-66-0

CAS Name

1-Isocyanato-4-(trichloromethyl)benzene

Molecular Formula

C8H4Cl3NO

Molecular Mass

236.48

Cite this Page

1-Isocyanato-4-(trichloromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=709-66-0 (retrieved 2024-11-23) (CAS RN: 709-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-81 °C @ Press: 0.05 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4Cl3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H

InChIKey

InChIKey=OETSPPVLTPINEC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isocyanato-4-(trichloromethyl)-
  • Isocyanic acid, α,α,α-trichloro-p-tolyl ester
  • 1-Isocyanato-4-(trichloromethyl)benzene
  • p-(Trichloromethyl)phenyl isocyanate
  • 4-Trichloromethylphenyl isocyanate

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