Iron pentacarbonyl

Iron pentacarbonyl, also known as iron carbonyl, is the compound with formula Fe(CO)5. Under standard conditions Fe(CO)5 is a free-flowing, straw-colored liquid with a pungent odour. Older samples appear darker. This compound is a common precursor to diverse iron compounds, including many that are useful in small scale organic synthesis.

Iron pentacarbonyl
Names
IUPAC name
Pentacarbonyliron(0)
Other names
Pentacarbonyl iron
Iron carbonyl
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.033.323
PubChem CID
RTECS number
  • NO4900000
UNII
UN number 1994
  • InChI=1S/5CO.Fe/c5*1-2; Y
    Key: FYOFOKCECDGJBF-UHFFFAOYSA-N Y
  • InChI=1/5CO.Fe/c5*1-2;
    Key: FYOFOKCECDGJBF-UHFFFAOYAX
SMILES
  • O=C=[Fe](=C=O)(=C=O)(=C=O)=C=O
Properties
Fe(CO)5
Molar mass 195.90 g/mol
Appearance straw-yellow to brilliant orange liquid
Odor musty
Density 1.453 g/cm3
Melting point −21.0 °C (−5.8 °F; 252.2 K)
Boiling point 103 °C (217 °F; 376 K)
Insoluble
Solubility Soluble in organic solvents
slightly soluble in alcohol
insoluble in ammonia
Vapor pressure 40 mmHg (30.6 °C)
Refractive index (nD)
1.5196 (20 °C)
Structure
Point group
D3h
trigonal bipyramidal
Molecular shape
trigonal bipyramidal
0 D
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
Very toxic, highly flammable
GHS labelling:
NFPA 704 (fire diamond)
4
3
1
Flash point −15 °C (5 °F; 258 K)
49 °C (120 °F; 322 K)
Explosive limits 3.7–12.5%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
25 mg/kg (rat, oral)
NIOSH (US health exposure limits):
PEL (Permissible)
none
REL (Recommended)
TWA 0.1 ppm (0.23 mg/m3) ST 0.2 ppm (0.45 mg/m3)
IDLH (Immediate danger)
0.4 ppm
Safety data sheet (SDS) ICSC 0168
Related compounds
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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