2,3-Dimethylphenyl isocyanate

CAS Registry Number®

1591-99-7
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CAS Name

2,3-Dimethylphenyl isocyanate

Molecular Formula

C9H9NO

Molecular Mass

147.17

Cite this Page

2,3-Dimethylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1591-99-7 (retrieved 2024-04-30) (CAS RN: 1591-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    88-90 °C @ Press: 9.5 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KNHJIEOCVVIBIV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isocyanato-2,3-dimethyl-
  • Isocyanic acid, 2,3-xylyl ester
  • 1-Isocyanato-2,3-dimethylbenzene
  • 2,3-Dimethylphenyl isocyanate

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