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Acetylferrocene information


Acetylferrocene
Names
IUPAC name
Acetylferrocene
Other names
Acetylferrocene
Identifiers
CAS Number
  • 1271-55-2 checkY
3D model (JSmol)
  • Interactive image
ECHA InfoCard 100.013.676 Edit this at Wikidata
PubChem CID
  • 10857189
RTECS number
  • OB3700000
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;
    Key: PHMAOJNZIFULOG-UHFFFAOYSA-N
SMILES
  • CC(=O)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
Properties
Chemical formula
[Fe(C5H4COCH3)(C5H5)]
Molar mass 228.07 g/mol
Appearance Red brown crystal
Density 1.014 g/mL
Melting point 81 to 83 °C (178 to 181 °F; 354 to 356 K)[1]
Boiling point 161 to 163 °C (322 to 325 °F; 434 to 436 K) (4 mmHg)
Solubility in water
Insoluble in water, soluble in most organic solvents
Hazards
GHS labelling:
Pictograms
GHS06: Toxic
Signal word
Danger
Hazard statements
H300
Precautionary statements
P264, P301+P310
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 4: Very short exposure could cause death or major residual injury. E.g. VX gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
4
1
0
Lethal dose or concentration (LD, LC):
LD50 (median dose)
25 mg kg−1 (oral, rat)
50 mg kg−1 (oral, mouse)[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Acetylferrocene is the organoiron compound with the formula (C5H5)Fe(C5H4COCH3). It consists of ferrocene substituted by an acetyl group on one of the cyclopentadienyl rings. It is an orange, air-stable solid that is soluble in organic solvents.

  1. ^ Sigma-Aldrich Co., Acetylferrocene. Retrieved on 2013-07-20.
  2. ^ http://msds.chem.ox.ac.uk/AC/acetylferrocene.html [dead link]

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Acetylferrocene

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Acetylferrocene is the organoiron compound with the formula (C5H5)Fe(C5H4COCH3). It consists of ferrocene substituted by an acetyl group on one of the...

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Acetic anhydride

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Illustrative are the conversions of benzene to acetophenone and ferrocene to acetylferrocene: (C5H5)2Fe + (CH3CO)2O → (C5H5)Fe(C5H4COCH3) + CH3CO2H Dicarboxylic...

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Vinylferrocene

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the dehydration of α-hydroxylethylferrocene, which is obtained from acetylferrocene. Cass, Anthony E. G.; Davis, Graham; Francis, Graeme D.; Hill, H. Allen...

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Ferrocene

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Friedel-Crafts acylation of ferrocene with acetic anhydride yields acetylferrocene just as acylation of benzene yields acetophenone under similar conditions...

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Ethylferrocene

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burning rate. It can be synthesized by the Clemmensen reduction of acetylferrocene. "Ethylferrocene". Watson International Ltd. Archived from the original...

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List of compounds with carbon number 12

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tricyclobutenobenzene) 60323-52-6 C12H12Fe vinylferrocene 1271-51-8 C12H12FeO acetylferrocene 1271-55-2 C12H12Ge diphenylgermane 1675-58-7 C12H12N2 benzidine 92-87-5...

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