1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene

CAS Registry Number®

67098-97-9
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CAS Name

1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene

Molecular Formula

C8H5ClFNO

Molecular Mass

185.58

Cite this Page

1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67098-97-9 (retrieved 2024-09-07) (CAS RN: 67098-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    112 °C @ Press: 12 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H5ClFNO/c9-4-6-1-2-7(10)3-8(6)11-5-12/h1-3H,4H2

InChIKey

InChIKey=CWTOOULKXVNDCB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC(F)=CC=C1CCl

Other Names for this Substance

  • Benzene, 1-(chloromethyl)-4-fluoro-2-isocyanato-
  • 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene