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Substance Name: 2-Pentanone, 2-hydroxy-5-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-, 3-thiosemicarbazone
RN: 101931-71-9
InChIKey: PCFADYHVEIBUEZ-ZVBGSRNCSA-N

Molecular Formula

  • C13-H13-F6-N3-O-S

Molecular Weight

  • 373.3197
 
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Names and Synonyms

Synonym

  • 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone

Systematic Name

  • 2-Pentanone, 2-hydroxy-5-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-, 3-thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 101931-71-9

System Generated Number

  • 0101931719

Structure Descriptors

InChI

1S/C13H13F6N3OS/c14-12(15,16)11(23,13(17,18)19)7-9(21-22-10(20)24)6-8-4-2-1-3-5-8/h1-5,23H,6-7H2,(H3,20,22,24)/b21-9+

InChIKey

PCFADYHVEIBUEZ-ZVBGSRNCSA-N

Smiles

c1ccc(cc1)C/C(=N\NC(=S)N)/CC(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09410,