3-Chlorophenyl isocyanate

CAS Registry Number®

2909-38-8
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CAS Name

3-Chlorophenyl isocyanate

Molecular Formula

C7H4ClNO

Molecular Mass

153.57

Cite this Page

3-Chlorophenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2909-38-8 (retrieved 2024-05-14) (CAS RN: 2909-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    83-86 °C @ Press: 10.5 Torr
  • Melting Point (2)

    -4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChIKey

InChIKey=HHIRBXHEYVDUAM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC=1C=CC=C(Cl)C1

Other Names for this Substance

  • Benzene, 1-chloro-3-isocyanato-
  • Isocyanic acid, m-chlorophenyl ester
  • 1-Chloro-3-isocyanatobenzene
  • m-Chlorophenyl isocyanate
  • 3-Chlorophenyl isocyanate

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