Ferrocenium hexafluorophosphate

CAS Registry Number®

11077-24-0
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CAS Name

Ferrocenium hexafluorophosphate

Molecular Formula

C10H10Fe.F6P

Cite this Page

Ferrocenium hexafluorophosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11077-24-0 (retrieved 2022-12-02) (CAS RN: 11077-24-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/2C5H5.F6P.Fe/c2*1-2-4-5-3-1;1-7(2,3,4,5)6;/h2*1-5H;;/q3*-1;+3

InChIKey

InChIKey=KCBDEJRPOSJAEZ-UHFFFAOYSA-N

SMILES

[Fe+3]12345678([CH]=9[CH-]1[CH]2=[CH]3[CH]49)[CH]%10=[CH]5[CH-]6[CH]7=[CH]8%10.[P+5]([F-])([F-])([F-])([F-])([F-])[F-]

Canonical SMILES

[F-][P+5]([F-])([F-])([F-])([F-])[F-].[CH]=12[CH]3=[CH]4[CH-]5[CH]1[Fe+3]23678945[CH]=%10[CH]9=[CH]8[CH-]7[CH]%106

Other Names for this Substance

  • Ferrocenium, hexafluorophosphate(1-) (1:1)
  • Phosphate(1-), hexafluoro-, ferrocenium
  • Bis(π-cyclopentadienyl)iron(1+) hexafluorophosphate(1-)
  • Ferrocenium hexafluorophosphate
  • Bis(η5-cyclopentadienyl)iron(1+) hexafluorophosphate(1-)

Deleted or Replaced CAS Registry Numbers

52676-41-2, 212116-62-6