1-(Isocyanatomethyl)-2-methylbenzene

CAS Registry Number®

56651-58-2
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CAS Name

1-(Isocyanatomethyl)-2-methylbenzene

Molecular Formula

C9H9NO

Molecular Mass

147.17

Cite this Page

1-(Isocyanatomethyl)-2-methylbenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=56651-58-2 (retrieved 2024-04-19) (CAS RN: 56651-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    98-99 °C @ Press: 8 Torr

  • Density (1)

    1.0756 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/C9H9NO/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3

InChIKey

InChIKey=VNHPWTGETWKSLP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NCC=1C=CC=CC1C

Other Names for this Substance

  • Benzene, 1-(isocyanatomethyl)-2-methyl-
  • 1-(Isocyanatomethyl)-2-methylbenzene
  • o-Methylbenzyl isocyanate
  • 2-Methylbenzyl isocyanate

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