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Substance Name: Pyridinium, 1-(6-hydroxy-4-oxo-7,7,7-trifluoro-6-(trifluoromethyl)heptyl)-, chloride
RN: 102584-03-2
InChIKey: LWFPCDLIFRYMCV-UHFFFAOYSA-M

Molecular Formula

  • C13-H14-Cl-F6-N-O2

Molecular Weight

  • 365.6996
 
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Names and Synonyms

Synonyms

  • 1-(6-Hydroxy-4-oxo-7,7,7-trifluoro-6-(trifluoromethyl)heptyl)pyridinium chloride
  • 7-(N-Pyridinium)-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-heptanone, chloride

Systematic Name

  • Pyridinium, 1-(6-hydroxy-4-oxo-7,7,7-trifluoro-6-(trifluoromethyl)heptyl)-, chloride

Registry Numbers

CAS Registry Number

  • 102584-03-2

System Generated Number

  • 0102584032

Structure Descriptors

InChI

1S/C13H14F6NO2.ClH/c14-12(15,16)11(22,13(17,18)19)9-10(21)5-4-8-20-6-2-1-3-7-20;/h1-3,6-7,22H,4-5,8-9H2;1H/q+1;/p-1

InChIKey

LWFPCDLIFRYMCV-UHFFFAOYSA-M

Smiles

c1cc[n+](cc1)CCCC(=O)CC(C(F)(F)F)(C(F)(F)F)O.[Cl-]

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#09349,