Acetylferrocene

CAS Registry Number®

1271-55-2

CAS Name

Acetylferrocene

Molecular Formula

C12H12FeO

Cite this Page

Acetylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1271-55-2 (retrieved 2024-11-29) (CAS RN: 1271-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2

InChIKey

InChIKey=SPKJCVZOZISLEI-UHFFFAOYSA-N

SMILES

C(C)(=O)[C-]12[Fe+2]3456789([CH]1=[CH]3[CH]4=[CH]52)[CH-]%10[CH]6=[CH]7[CH]8=[CH]9%10

Canonical SMILES

O=C(C)[C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]67894532[CH]=%10[CH]9=[CH]8[CH-]7[CH]%106

Other Names for this Substance

  • Ferrocene, acetyl-
  • Ketone, ferrocenyl methyl
  • Iron, (acetylcyclopentadienyl)cyclopentadienyl-
  • Acetylferrocene
  • Ethanone, 1-ferrocenyl-

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