1,1′-Diacetylferrocene

CAS Registry Number®

1273-94-5
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CAS Name

1,1′-Diacetylferrocene

Molecular Formula

C14H14FeO2

Cite this Page

1,1′-Diacetylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1273-94-5 (retrieved 2024-03-29) (CAS RN: 1273-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-127.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;/q2*-1;+2

InChIKey

InChIKey=WDKIARLEQFHVKC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ferrocene, 1,1′-diacetyl-
  • Iron, bis(cyclopentadienyl methyl ketone)-
  • 1,1′-Diacetylferrocene
  • DAF
  • NSC 16677

Deleted or Replaced CAS Registry Numbers

49564-20-7

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