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Substance Name: Thiocyanic acid, 2,4-dinitrobenzyl ester
RN: 13287-50-8
InChIKey: DALHWMJWWPDQRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H5-N3-O4-S

Molecular Weight

  • 239.21
 
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Names and Synonyms

Synonyms

  • (2,4-Dinitrophenyl)methyl thiocyanate
  • 1-06-00-00232 (Beilstein Handbook Reference)
  • 2,4-Dinitrobenzylthiocyanate
  • BRN 3362441

Systematic Name

  • Thiocyanic acid, 2,4-dinitrobenzyl ester

Registry Numbers

CAS Registry Number

  • 13287-50-8

System Generated Number

  • 0013287508

Structure Descriptors

InChI

1S/C8H5N3O4S/c9-5-16-4-6-1-2-7(10(12)13)3-8(6)11(14)15/h1-3H,4H2

InChIKey

DALHWMJWWPDQRV-UHFFFAOYSA-N

Smiles

S(C#N)Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 80mg/kg (80mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971.
rat LDLo intraperitoneal 80mg/kg (80mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.