Thiocyanic acid, 4-methoxy-2-nitrophenyl ester

CAS Registry Number®

59607-71-5
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CAS Name

Thiocyanic acid, 4-methoxy-2-nitrophenyl ester

Molecular Formula

C8H6N2O3S

Molecular Mass

210.21

Cite this Page

Thiocyanic acid, 4-methoxy-2-nitrophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59607-71-5 (retrieved 2024-09-08) (CAS RN: 59607-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O3S/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3

InChIKey

InChIKey=NZBABHFYCIWRBJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CSC1=CC=C(OC)C=C1N(=O)=O

Other Names for this Substance

  • Thiocyanic acid, 4-methoxy-2-nitrophenyl ester
  • 4-Methoxy-2-nitro-1-thiocyanatobenzene
  • (4-Methoxy-2-nitrophenyl) thiocyanate
  • [(4-Methoxy-2-nitrophenyl)sulfanyl]formonitrile
  • 2-Nitro-4-methoxyphenyl thiocyanate