Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-

CAS Registry Number®

56651-59-3
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CAS Name

Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-

Molecular Formula

C10H11NO

Molecular Mass

161.20

Cite this Page

Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56651-59-3 (retrieved 2024-09-10) (CAS RN: 56651-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115-117 °C @ Press: 9 Torr

  • Density (1)

    1.0402 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H11NO/c1-8-3-4-10(6-11-7-12)9(2)5-8/h3-5H,6H2,1-2H3

InChIKey

InChIKey=ATLVTMVEYQOHCH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NCC1=CC=C(C=C1C)C

Other Names for this Substance

  • Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-
  • Isocyanic acid, 2,4-dimethylbenzyl ester
  • 2,4-Dimethylbenzyl isocyanate
  • 1-(Isocyanatomethyl)-2,4-dimethylbenzene