2,6-Dimethylphenyl isocyanate

CAS Registry Number®

28556-81-2
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CAS Name

2,6-Dimethylphenyl isocyanate

Molecular Formula

C9H9NO

Molecular Mass

147.17

Cite this Page

2,6-Dimethylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=28556-81-2 (retrieved 2024-05-17) (CAS RN: 28556-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    87-89 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YQLRKXVEALTVCZ-UHFFFAOYSA-N

SMILES

N(=C=O)C1=C(C)C=CC=C1C

Canonical SMILES

O=C=NC=1C(=CC=CC1C)C

Other Names for this Substance

  • Benzene, 2-isocyanato-1,3-dimethyl-
  • Isocyanic acid, 2,6-xylyl ester
  • 2-Isocyanato-1,3-dimethylbenzene
  • 2,6-Xylyl isocyanate
  • 2,6-Dimethylphenyl isocyanate

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