Benzoylferrocene
CAS Registry Number®
1272-44-2
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CAS Name
BenzoylferroceneMolecular Formula
C17H14FeOCite this Page
Benzoylferrocene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1272-44-2 (retrieved ) (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 °CDensity (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
Deleted or Replaced CAS Registry Numbers
36344-08-8, 38960-44-0
