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Substance Name: Thiocyanic acid, 4-chloro-2-nitrophenyl ester
RN: 6803-43-6
InChIKey: BLMPTCDTQNCFJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H3-Cl-N2-O2-S

Molecular Weight

  • 214.632
 
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Names and Synonyms

Synonyms

  • 2-06-00-00313 (Beilstein Handbook Reference)
  • 2-Nitro-4-chlor-phenyl-thiocyanat
  • 2-Nitro-4-chlor-phenyl-thiocyanat [German]
  • 4-Chloro-2-nitrophenylthiocyanate
  • BRN 2560725

Systematic Name

  • Thiocyanic acid, 4-chloro-2-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 6803-43-6

System Generated Number

  • 0006803436

Structure Descriptors

InChI

1S/C7H3ClN2O2S/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H

InChIKey

BLMPTCDTQNCFJU-UHFFFAOYSA-N

Smiles

S(C#N)c1c(cc(cc1)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 40mg/kg (40mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971.
rat LDLo intraperitoneal 40mg/kg (40mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.