1,1′-Dibenzoylferrocene
CAS Registry Number®
12180-80-2
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CAS Name
1,1′-DibenzoylferroceneMolecular Formula
C24H18FeO2Cite 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 ) (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 °CDensity (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
Deleted or Replaced CAS Registry Numbers
872787-04-7