1,1′-Dibenzoylferrocene

CAS Registry Number®

12180-80-2
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CAS Name

1,1′-Dibenzoylferrocene

Molecular Formula

C24H18FeO2

Cite this Page

1,1′-Dibenzoylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12180-80-2 (retrieved 2024-09-06) (CAS RN: 12180-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-106 °C

  • Density (2)

    1.42 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/2C12H9O.Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h2*1-9H;/q2*-1;+2

InChIKey

InChIKey=RFFFQOLCTAEBMA-UHFFFAOYSA-N

SMILES

C(=O)([C-]12[Fe+2]3456789([C-]%10(C(=O)C%11=CC=CC=C%11)[CH]3=[CH]4[CH]5=[CH]6%10)[CH]1=[CH]7[CH]8=[CH]92)C%12=CC=CC=C%12

Canonical SMILES

O=C(C=1C=CC=CC1)[C-]23[CH]4=[CH]5[CH]6=[CH]2[Fe+2]56789%1043[CH]=%11[CH]%10=[CH]9[C-]8(C(=O)C=%12C=CC=CC%12)[CH]%117

Other Names for this Substance

  • Ferrocene, 1,1′-dibenzoyl-
  • Ketone, cyclopentadienyl phenyl, iron deriv.
  • Ketone, cyclopentadienyl phenyl, Fe deriv.
  • 1,1′-Dibenzoylferrocene
  • Dibenzoylferrocene

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Deleted or Replaced CAS Registry Numbers

872787-04-7