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Substance Name: Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
RN: 25061-59-0
InChIKey: YBVIGZGPYGVIDI-UHFFFAOYSA-M

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H7-F15-N.C-F3-O3-S

Molecular Weight

  • 611.243
 
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Names and Synonyms

Synonyms

  • 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)pyridinium trifluoromethanesulfonate
  • MBR 3092-42
  • N-(1,1-Dihydroperfluorooctyl)pyridinium trifluoromethanesulfonate

Systematic Name

  • Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate

Registry Numbers

CAS Registry Number

  • 25061-59-0

System Generated Number

  • 0025061590

Molecular Formulas

Molecular Formula

  • C13-H7-F15-N.C-F3-O3-S

Molecular Formula Fragments

  • C-F3-O3-S
  • C13-H7-F15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C13H7F15N.CHF3O3S/c14-7(15,6-29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28;2-1(3,4)8(5,6)7/h1-5H,6H2;(H,5,6,7)/q+1;/p-1

InChIKey

YBVIGZGPYGVIDI-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD oral > 500mg/kg (500mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
dog LD oral > 500mg/kg (500mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse LD50 oral 925mg/kg (925mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
rabbit LD skin > 2gm/kg (2000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
rat LD50 intraperitoneal 18mg/kg (18mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
rat LD50 oral 1159mg/kg (1159mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.