Thiocyanic acid, 4-chlorophenyl ester

CAS Registry Number®

3226-37-7
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CAS Name

Thiocyanic acid, 4-chlorophenyl ester

Molecular Formula

C7H4ClNS

Molecular Mass

169.63

Cite this Page

Thiocyanic acid, 4-chlorophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3226-37-7 (retrieved 2024-07-04) (CAS RN: 3226-37-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    92-95 °C @ Press: 5 Torr

  • Melting Point (2)

    35.5-36 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H

InChIKey

InChIKey=AUQXBIOKBXZSPG-UHFFFAOYSA-N

SMILES

S(C#N)C1=CC=C(Cl)C=C1

Canonical SMILES

N#CSC1=CC=C(Cl)C=C1

Other Names for this Substance

  • Thiocyanic acid, 4-chlorophenyl ester
  • Thiocyanic acid, p-chlorophenyl ester
  • Benzene, 1-chloro-4-thiocyanato-
  • p-Chlorophenyl thiocyanate
  • 4-Chlorobenzenethiocyanate

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