1,1′-Ferrocenedicarboxylic acid

CAS Registry Number®

1293-87-4
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CAS Name

1,1′-Ferrocenedicarboxylic acid

Molecular Formula

C12H10FeO4

Cite this Page

1,1′-Ferrocenedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1293-87-4 (retrieved 2024-04-24) (CAS RN: 1293-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);/q2*-1;+2

InChIKey

InChIKey=LDSUEKXPKCHROT-UHFFFAOYSA-N

SMILES

C(O)(=O)[C-]12[Fe+2]3456789([C-]%10(C(O)=O)[CH]3=[CH]4[CH]5=[CH]6%10)[CH]1=[CH]7[CH]8=[CH]92

Canonical SMILES

O=C(O)[C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]45678932[CH]=%10[CH]9=[CH]8[C-]7(C(=O)O)[CH]%106

Other Names for this Substance

  • Ferrocene, 1,1′-dicarboxy-
  • 1,1′-Ferrocenedicarboxylic acid
  • Cyclopentadienecarboxylic acid, iron deriv.
  • Cyclopentadienecarboxylic acid, Fe deriv.
  • 1,1′-Dicarboxyferrocene

Deleted or Replaced CAS Registry Numbers

119390-48-6, 60788-70-7, 61114-87-2, 94387-07-2, 515872-25-0, 12264-31-2

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