4-Methylphenyl isocyanate

CAS Registry Number®

622-58-2
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CAS Name

4-Methylphenyl isocyanate

Molecular Formula

C8H7NO

Molecular Mass

133.15

Cite this Page

4-Methylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=622-58-2 (retrieved 2024-04-27) (CAS RN: 622-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    71-72 °C @ Press: 13 Torr
  • Melting Point (2)

    155-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

InChIKey

InChIKey=MGYGFNQQGAQEON-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=C(C=C1)C

Other Names for this Substance

  • Benzene, 1-isocyanato-4-methyl-
  • Isocyanic acid, p-tolyl ester
  • 1-Isocyanato-4-methylbenzene
  • p-Tolyl isocyanate
  • p-Methylphenyl isocyanate

Deleted or Replaced CAS Registry Numbers

863480-54-0

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