Thiocyanic acid, 4-methyl-2-nitrophenyl ester

CAS Registry Number®

71215-88-8
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CAS Name

Thiocyanic acid, 4-methyl-2-nitrophenyl ester

Molecular Formula

C8H6N2O2S

Molecular Mass

194.21

Cite this Page

Thiocyanic acid, 4-methyl-2-nitrophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71215-88-8 (retrieved 2024-09-09) (CAS RN: 71215-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2S/c1-6-2-3-8(13-5-9)7(4-6)10(11)12/h2-4H,1H3

InChIKey

InChIKey=FOUCYKKDWSELGL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Thiocyanic acid, 4-methyl-2-nitrophenyl ester
  • 3-Nitro-4-(thiocyanato)toluene
  • (4-Methyl-2-nitrophenyl) thiocyanate