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Substance Name: p-Toluenesulfonic acid, thio-, S-trifluoromethyl ester
RN: 15223-20-8
InChIKey: BMWAIPXLPUNZLV-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-F3-O2-S2

Molecular Weight

  • 256.267
 
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Names and Synonyms

Synonyms

  • BRN 2381278
  • NSC 135781
  • p-Toluenesulfonic acid, thio-, S-trifluoromethyl ester
  • S-Trifluoromethyl p-toluenethiosulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15223-20-8

System Generated Number

  • 0015223208

Structure Descriptors

InChI

1S/C8H7F3O2S2/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3

InChIKey

BMWAIPXLPUNZLV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04618,