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Substance Name: p-Toluenesulfonic acid, thio-, S-trichloromethyl ester
RN: 13029-18-0
InChIKey: PAXYSKBKXXIHCR-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl3-O2-S2

Molecular Weight

  • 305.632
 
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Names and Synonyms

Synonyms

  • 4-11-00-00484 (Beilstein Handbook Reference)
  • BRN 2381302
  • NSC 85524
  • p-Toluenesulfonic acid, thio-, S-trichloromethyl ester
  • S-Trichloromethyl p-toluenethiosulfonate

Systematic Name

  • p-Toluenesulfonic acid, thio-, S-trichloromethyl ester

Registry Numbers

CAS Registry Number

  • 13029-18-0

System Generated Number

  • 0013029180

Structure Descriptors

InChI

1S/C8H7Cl3O2S2/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3

InChIKey

PAXYSKBKXXIHCR-UHFFFAOYSA-N

Smiles

S(SC(Cl)(Cl)Cl)(c1ccc(cc1)C)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04603,