Toluene 2,6-diisocyanate

CAS Registry Number®

91-08-7

CAS Name

Toluene 2,6-diisocyanate

Molecular Formula

C9H6N2O2

Molecular Mass

174.16

Cite this Page

Toluene 2,6-diisocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91-08-7 (retrieved 2024-11-22) (CAS RN: 91-08-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129-133 °C @ Press: 18 Torr

  • Melting Point (1)

    18.3 °C

  • Density (1)

    1.22 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

InChIKey

InChIKey=RUELTTOHQODFPA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=CC(N=C=O)=C1C

Other Names for this Substance

  • Benzene, 1,3-diisocyanato-2-methyl-
  • Isocyanic acid, 2-methyl-m-phenylene ester
  • 1,3-Diisocyanato-2-methylbenzene
  • 2,6-Diisocyanatotoluene
  • m-Tolylene diisocyanate

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Deleted or Replaced CAS Registry Numbers

137091-34-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration