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Substance Name: Thiocyanic acid, 3-chlorophenyl ester
RN: 2402-00-8
InChIKey: RJIGKFDRWHAWBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-Cl-N-S

Molecular Weight

  • 169.635
 
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Names and Synonyms

Synonyms

  • 3-06-00-01034 (Beilstein Handbook Reference)
  • 3-Chlorophenylthiocyanate
  • BRN 2044481
  • m-Chlorophenyl thiocyanate

Systematic Name

  • Thiocyanic acid, 3-chlorophenyl ester

Registry Numbers

CAS Registry Number

  • 2402-00-8

System Generated Number

  • 0002402008

Structure Descriptors

InChI

1S/C7H4ClNS/c8-6-2-1-3-7(4-6)10-5-9/h1-4H

InChIKey

RJIGKFDRWHAWBT-UHFFFAOYSA-N

Smiles

S(C#N)c1cc(ccc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 60mg/kg (60mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971.
rat LDLo intraperitoneal 60mg/kg (60mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.