Benzoic acid, 4-isocyano-, ethyl ester

CAS Registry Number®

1983-99-9
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CAS Name

Benzoic acid, 4-isocyano-, ethyl ester

Molecular Formula

C10H9NO2

Cite this Page

Benzoic acid, 4-isocyano-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1983-99-9 (retrieved 2024-09-06) (CAS RN: 1983-99-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO2/c1-3-13-10(12)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1H3

InChIKey

InChIKey=AUCNDAZBLKMEEM-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC=C([N+]#[C-])C=C1

Canonical SMILES

[C-]#[N+]C1=CC=C(C=C1)C(=O)OCC

Other Names for this Substance

  • Benzoic acid, 4-isocyano-, ethyl ester
  • Benzoic acid, p-isocyano-, ethyl ester
  • Ethyl 4-isocyanobenzoate
  • 4-Ethoxycarbonylphenyl isocyanide
  • 1-(Ethoxycarbonyl)-4-isocyanobenzene