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Substance Name: Thiocyanic acid, trichloromethyl ester
RN: 20233-04-9
InChIKey: RMUJSHZJFTWGGN-UHFFFAOYSA-N

Molecular Formula

  • C2-Cl3-N-S

Molecular Weight

  • 176.454
 
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Names and Synonyms

Synonyms

  • 4-03-00-00339 (Beilstein Handbook Reference)
  • BRN 1746972
  • Trichloromethyl thiocyanate

Systematic Name

  • Thiocyanic acid, trichloromethyl ester

Registry Numbers

CAS Registry Number

  • 20233-04-9

System Generated Number

  • 0020233049

Structure Descriptors

InChI

1S/C2Cl3NS/c3-2(4,5)7-1-6

InChIKey

RMUJSHZJFTWGGN-UHFFFAOYSA-N

Smiles

C(SC#N)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4500ug/kg (4.5mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 142, 1954.
mouse LDLo parenteral 10mg/kg (10mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 695, 1955.
rabbit LD50 intravenous 3200ug/kg (3.2mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 142, 1954.