2,4-Dimethylphenyl isocyanate

CAS Registry Number®

51163-29-2

CAS Name

2,4-Dimethylphenyl isocyanate

Molecular Formula

C9H9NO

Molecular Mass

147.17

Cite this Page

2,4-Dimethylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51163-29-2 (retrieved 2024-11-26) (CAS RN: 51163-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    211.2-212.0 °C

  • Melting Point (2)

    53-55 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3

InChIKey

InChIKey=QUOBVYPFBJUOAJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isocyanato-2,4-dimethyl-
  • Isocyanic acid, 2,4-xylyl ester
  • 1-Isocyanato-2,4-dimethylbenzene
  • 2,4-Dimethylphenyl isocyanate

CAS INSIGHTSTM
Hourglass and a clock