Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester

CAS Registry Number®

19339-59-4
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CAS Name

Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester

Molecular Formula

C9H6ClNOS

Molecular Mass

211.67

Cite this Page

Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19339-59-4 (retrieved 2024-09-07) (CAS RN: 19339-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138.6-139.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2

InChIKey

InChIKey=JSIQRJQKMVTGJN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester
  • Thiocyanic acid, p-chlorophenacyl ester
  • p-Chlorobenzoylmethyl thiocyanate
  • 1-(4-Chlorophenyl)-2-thiocyanatoethanone
  • p-Chlorophenacyl thiocyanate

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