Ethyl 4-isocyanatobenzoate

CAS Registry Number®

30806-83-8

CAS Name

Ethyl 4-isocyanatobenzoate

Molecular Formula

C10H9NO3

Molecular Mass

191.18

Cite this Page

Ethyl 4-isocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30806-83-8 (retrieved 2024-11-28) (CAS RN: 30806-83-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    144-148 °C @ Press: 17 Torr
  • Melting Point (2)

    60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3

InChIKey

InChIKey=CFEPCPHKICBCJV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-isocyanato-, ethyl ester
  • Benzoic acid, p-isocyanato-, ethyl ester
  • Ethyl p-isocyanatobenzoate
  • Ethyl 4-isocyanatobenzoate
  • 4-(Ethoxycarbonyl)phenyl isocyanate

Deleted or Replaced CAS Registry Numbers

1025436-22-9, 1330062-09-3

CAS INSIGHTSTM
Hourglass and a clock