1,3-Phenylene diisocyanate

CAS Registry Number®

123-61-5

CAS Name

1,3-Phenylene diisocyanate

Molecular Formula

C8H4N2O2

Molecular Mass

160.13

Cite this Page

1,3-Phenylene diisocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123-61-5 (retrieved 2024-11-21) (CAS RN: 123-61-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    102-104 °C @ Press: 8 Torr

  • Melting Point (2)

    51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H

InChIKey

InChIKey=VGHSXKTVMPXHNG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,3-diisocyanato-
  • Isocyanic acid, m-phenylene ester
  • 1,3-Diisocyanatobenzene
  • Nacconate 400
  • m-Phenylene isocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration