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Substance Name: Thiocyanic acid, 4-nitrophenyl ester
RN: 2137-92-0
InChIKey: JDZYWJUTZURMKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-N2-O2-S

Molecular Weight

  • 180.187
 
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Names and Synonyms

Synonyms

  • 4-06-00-01709 (Beilstein Handbook Reference)
  • 4-Nitrophenylthiocyanate
  • BRN 1910625
  • o-Nitro(thiocyano)benzene

Systematic Name

  • Thiocyanic acid, 4-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 2137-92-0

System Generated Number

  • 0002137920

Structure Descriptors

InChI

1S/C7H4N2O2S/c8-5-12-7-3-1-6(2-4-7)9(10)11/h1-4H

InChIKey

JDZYWJUTZURMKO-UHFFFAOYSA-N

Smiles

S(C#N)c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971.
rat LDLo intraperitoneal 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.