Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

CAS Registry Number®

6097-22-9
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CAS Name

Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

Molecular Formula

C9H6N2O3S

Molecular Mass

222.22

Cite this Page

Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6097-22-9 (retrieved 2024-04-28) (CAS RN: 6097-22-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123.6-124.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O3S/c10-6-15-5-9(12)7-2-1-3-8(4-7)11(13)14/h1-4H,5H2

InChIKey

InChIKey=ABKJWLHODKUEJA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CSCC(=O)C1=CC=CC(=C1)N(=O)=O

Other Names for this Substance

  • Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester
  • Thiocyanic acid, m-nitrophenacyl ester
  • 1-(3-Nitrophenyl)-2-thiocyanatoethanone
  • [2-(3-Nitrophenyl)-2-oxoethyl] thiocyanate
  • 2-(3-Nitrophenyl)-2-oxoethyl thiocyanate

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