3,4,5-Trimethoxy-α-oxobenzeneacetonitrile

CAS Registry Number®

5955-75-9

CAS Name

3,4,5-Trimethoxy-α-oxobenzeneacetonitrile

Molecular Formula

C11H11NO4

Molecular Mass

221.21

Cite this Page

3,4,5-Trimethoxy-α-oxobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5955-75-9 (retrieved 2025-01-03) (CAS RN: 5955-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    178-179 °C @ Press: 14 Torr

  • Melting Point (2)

    136-137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H11NO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5H,1-3H3

InChIKey

InChIKey=NHZLVOHMHLFZLS-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(C(C#N)=O)C=C1OC

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 3,4,5-trimethoxy-α-oxo-
  • Glyoxylonitrile, (3,4,5-trimethoxyphenyl)-
  • 3,4,5-Trimethoxy-α-oxobenzeneacetonitrile
  • NSC 58984
  • 3,4,5-Trimethoxybenzoyl cyanide

Deleted or Replaced CAS Registry Numbers

2237967-40-5

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