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Substance Name: Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide
RN: 31850-87-0
InChIKey: KHRMERYAUUFNPF-UHFFFAOYSA-N

Molecular Formula

  • C14-H9-Cl2-N3-O-S

Molecular Weight

  • 338.217
 
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Names and Synonyms

Synonyms

  • 3,4'-Dichloro-4'-thiocyanatocarbanilide
  • PF-22
  • Produit F22
  • Produit F22 [French]

Systematic Name

  • Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide

Registry Numbers

CAS Registry Number

  • 31850-87-0

System Generated Number

  • 0031850870

Structure Descriptors

InChI

1S/C14H9Cl2N3OS/c15-12-6-3-10(7-13(12)16)19-14(20)18-9-1-4-11(5-2-9)21-8-17/h1-7H,(H2,18,19,20)

InChIKey

KHRMERYAUUFNPF-UHFFFAOYSA-N

Smiles

S(C#N)c1ccc(NC(Nc2cc(c(cc2)Cl)Cl)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 163mg/kg (163mg/kg)   Therapie. Vol. 22, Pg. 265, 1967.
mouse LD50 oral 10gm/kg (10000mg/kg)   Therapie. Vol. 22, Pg. 265, 1967.
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   Therapie. Vol. 22, Pg. 265, 1967.