Benzoylferrocene

CAS Registry Number®

1272-44-2

CAS Name

Benzoylferrocene

Molecular Formula

C17H14FeO

Cite this Page

Benzoylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1272-44-2 (retrieved 2025-01-31) (CAS RN: 1272-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-109 °C

  • Density (2)

    1.507 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H;/q2*-1;+2

InChIKey

InChIKey=PWUMGRPMAGSFJU-UHFFFAOYSA-N

SMILES

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)C%11=CC=CC=C%11

Canonical SMILES

O=C(C=1C=CC=CC1)[C-]23[CH]4=[CH]5[CH]6=[CH]2[Fe+2]789%105643[CH]=%11[CH]%10=[CH]9[CH-]8[CH]%117

Other Names for this Substance

  • Ferrocene, benzoyl-
  • Ketone, ferrocenyl phenyl
  • Iron, (benzoylcyclopentadienyl)cyclopentadienyl-
  • Benzoylferrocene
  • Monobenzoylferrocene

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Deleted or Replaced CAS Registry Numbers

36344-08-8, 38960-44-0