Pentacarbonyl iron

Base Information

• Chemical Name: Pentacarbonyl iron
• CAS No.: 13463-40-6
• Deprecated CAS: 37220-42-1,540770-45-4,848779-17-9
• Molecular Formula: C5Fe O5
• Molecular Weight: 195.899
• Hs Code.: 29310099
• NSC Number: 158658
• DSSTox Substance ID: DTXSID3027746
• Mol file: 13463-40-6.mol

Synonyms:Pentacarbonyl iron;pentacarbonyliron(0);[Fe(CO)5];Fe (C O)5;DTXSID3027746;CHEBI:30251;NSC158658;NSC-158658

Chemical Property of Pentacarbonyl iron

Chemical Property:

• Appearance/Colour: straw-yellow liquid
• Vapor Pressure: 35 mm Hg ( 25 °C)
• Melting Point: -20 °C
• Refractive Index: n20/D 1.5196(lit.)
• Boiling Point: 103 °C(lit.)
• Flash Point: 5 °F
• PSA: 0.00000
• Density: 1.49 g/mL at 25 °C(lit.)
• LogP: -1.04250
• Storage Temp.: 0-6°C
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in nickel tetracarbonyl and organic solvents. Insoluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 195.909509
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

Iron(0)Pentacarbonyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk. Toxic by ingestion, inhalation, and skin absorption. TLV: TWA 0.1 ppm (Fe); STEL 0.2 ppm.
• Hazard Codes: F,T+
• Statements: 11-24-26/28
• Safety Statements: 16-26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
• Uses: To make finely divided iron, so-called carbonyl iron, which is used in the manufacture of powdered iron cores for high frequency coils used in the radio and television industry; as antiknock agent in motor fuels; as catalyst and reagent in organic reactions. It is used to produce carbonyl iron (finelydivided iron) for high frequency coils andalso for radio and television (Merck 1996).It is also used as a catalyst in many organicsyntheses and as an antiknock agent in motorfuels. As strong reducing agent; in manufacture of high-frequency coils used in radios and televisions; as antiknock agent in motor fuels

Technology Process of Pentacarbonyl iron

There total 349 articles about Pentacarbonyl iron which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

triiron dodecarbonyl (17685-52-8) → iron pentacarbonyl (13463-40-6,37220-42-1)

Guidance literature:

With carbon monoxide; In n-heptane; Irradiation (UV/VIS); soln. of Fe3(CO)12 in n-heptane is irradiated for 30 min in slow streamof CO;

DOI:10.1016/S0277-5387(00)86658-9

Reference yield: 80.0%

iron (7439-89-6) → iron pentacarbonyl (13463-40-6,37220-42-1)

Guidance literature:

With carbon monoxide; tetrabutylammomium bromide; In methanol; Electrochem. Process; CO 37 bar, electrolysis (Fe-anode, Bu4NBr, 293 K, 30 mA, 1.5 V, 168 h); distn., dried (P2O5);

Reference yield:

bis(1,5-cyclooctadiene)nickel (0) (1295-35-8) + cis-[Fe(CO)4Cl2] (21475-90-1,15006-65-2,142036-31-5) → iron pentacarbonyl (13463-40-6,37220-42-1) + tetracarbonyl nickel (13463-39-3,71564-36-8)

Guidance literature:

In hexane; under Ar Fe-complex was suspended in hexane at 0°C, Ni-complex was added, stirred at 0°C for 45 min; filtered, evapd., detected by IR;

DOI:10.1016/S0022-328X(00)84689-6

upstream raw materials:

bis(1,5-cyclooctadiene)nickel ⁽⁰⁾

cis-[Fe(CO)4Cl₂]

nitrosyl hexafluorophosphate

{((C₆H₅)3P)2N}⁽¹⁺⁾*{HFe₄(CO)12(CO)}^(1-)={((C₆H₅)3P)2N}{HFe₄(CO)12(CO)}

Downstream raw materials:

iron(II) oxide

iron

di-t-butyldiazene

1,3-di-tert-butylcarbodiimide

Refernces

• 1、 Dittmer et al.. "". . p. 2795,2796,2800. Retrieved 1976.
• 2、 Edwards, Julie D.,Howard, Judith A. K.,Knox, Selby A. R.,Riera, Victor,Stone, F. Gordon A.,Woodward, Peter. "". . . Retrieved 1976.
• 3、 Gabon, Patrice,Sellin, Murielle,Salaün, Jean-Yves,Patinec, Véronique,Des Abbayes, Hervé,Kubicki, Marek M.. "Cyclization of the pyruvyl(methoxycarbonyl)tetracarbonyliron complex cis-(CO)4Fe[C(O)C(O)CH3](CO2CH3) induced by pronucleophile reagents". . p. 2196 - 2202. Retrieved 2002.
• 4、 Huang, Shaoming,Cai, Xianyu,Du, Chunsheng,Liu, Jie. "Oriented long single walled carbon nanotubes on substrates from floating catalysts". . p. 13251 - 13254. Retrieved 2003.
• 5、 Ceriotti, Alessandro,Longoni, Giuliano,Pergola, Roberto Della,Heaton, Brian T.,Smith, David O.. "Bimetallic Iron-Rhodium Anionic Carbonyl Clusters: x>-(x=10 or 11), 2-, 2-, and -". . p. 1433 - 1440. Retrieved 1983.
• 6、 Mond, L.,Langer, C.. "". . p. 1090 - 1090. Retrieved 1891.
• 7、 Poliakoff, Martyn. "THE INFRA-RED LASER-INDUCED PHOTOCHEMISTRY OF Fe(CO)4". . p. 217 - 222. Retrieved 1987.
• 8、 Barton, D. H. R.,Gunatilaka, A. A. L.,Nakanishi, T.,Patin, H.,Widdowson, D. A.,Worth, B. R.. "". . . Retrieved 1976.
• 9、 Bogdan, Leonard E.,Lesch, David A.,Rauchfuss, Thomas B.. "SYNTHESIS OF HETEROMETALLIC CLUSTER COMPOUNDS FROM Fe3(μ3-Te)2(CO)9 AND COMPARISONS WITH ANALOGOUS SULFIDE CLUSTERS". . p. 429 - 438. Retrieved 1983.
• 10、 Yang, S. L.,Li, C. S.,Cheng, C. H.. "Electron Transfer Catalysis in the Conversion of Fe3(CO)12 to Fe(CO)5". . p. 1872 - 1874. Retrieved 1987.