3-Methylphenyl isocyanate

CAS Registry Number®

621-29-4

CAS Name

3-Methylphenyl isocyanate

Molecular Formula

C8H7NO

Molecular Mass

133.15

Cite this Page

3-Methylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=621-29-4 (retrieved 2024-11-22) (CAS RN: 621-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    187.2-187.4 °C

  • Density (2)

    1.0630 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

InChIKey

InChIKey=CPPGZWWUPFWALU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isocyanato-3-methyl-
  • Isocyanic acid, m-tolyl ester
  • 1-Isocyanato-3-methylbenzene
  • 3-Methylphenyl isocyanate
  • m-Methylphenyl isocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration