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13463-40-6

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Basic Information
CAS No.: 13463-40-6
Name: Ironpentacarbonyl
Article Data: 264
Molecular Structure:
Molecular Structure of 13463-40-6 (Ironpentacarbonyl)
Formula: C5Fe O5
Molecular Weight: 195.899
Synonyms: Ironcarbonyl (Fe(CO)5) (8CI); Iron pentacarbonyl; Iron pentacarbonyl (Fe(CO)5);Pentacarbonyl iron; R 20
EINECS: 236-670-8
Density: 1.49 g/mL at 25 °C(lit.)
Melting Point: -20 °C
Boiling Point: 103 °C(lit.)
Flash Point: 5 °F
Solubility: Solubility in organic solvents
Appearance: straw-yellow liquid
Hazard Symbols: Flammable, dangerous fire risk. Toxic by ingestion, inhalation, and skin absorption. TLV: TWA 0.1 ppm (Fe); STEL 0.2 ppm.
Risk Codes: 11-24-26/28
Safety: A poison by inhalation, skin contact, ingestion, subcutaneous, and intravenous routes. Inhalation causes dizziness, nausea, and vomiting. If continued, unconsciousness follows. Often there is a delayed reaction of chest pain, cough, and difficult breathing. There may be cyanosis and circulatory collapse. In fatal cases, death occurs from the fourth to eleventh day with pneumonitis and injury to kidneys, liver, and brain. Iron carbonyl is less toxic than nickel carbonyl.

A very dangerous fire and moderate explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Warning: pyrophoric in air. Mixtures with nitrogen oxide explode above 50°C. Violent reaction with zinc + transition metal halides (e.g., cobalt halides, rhodium halides, ruthenium halides). Mixtures with acetic acid + water produce a pyrophoric powder. To fight fire, use water, foam, CO2, dry chemical. See also CARBONYLS and IRON COMPOUNDS.

Transport Information: UN 1994 6
PSA: 0.00000
LogP: -1.04250
Synthetic route
15321-51-4

diiron nonacarbonyl

103932-33-8

Os{PCO(CF3)}(CO)2(P(C6H5)3)2

13463-40-6

iron pentacarbonyl

Os{P{Fe(CO)4}CO(CF3)}(CO)2(P(C6H5)3)2

Conditions
ConditionsYield
In tetrahydrofuran educts suspended in THF; after 1 h solvent removed in vacuo;; residue left under vacuum for 1 h; dissolved in CH2Cl2; addn. of ethanol; concentration; filtration; washed with ethanol and n-hexane; elem. anal.;A n/a
B 100%
17685-52-8

triiron dodecarbonyl

13463-40-6

iron pentacarbonyl

Conditions
ConditionsYield
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;98%
In n-heptane Irradiation (UV/VIS); soln. of Fe3(CO)12 in n-heptane is irradiated at 293 K for 75 min in slow stream N2;96%
With carbon monoxide In N,N-dimethyl-formamide decompn. in presence of CO (1 atm) betwwen 0 and 25°C; intermediates observed;; not isolated; detn. by ESR;
15321-51-4

diiron nonacarbonyl

124686-70-0

((t-Bu)4(Me)2azasilagermane)

13463-40-6

iron pentacarbonyl

B

124686-68-6

((t-Bu)4(Me)2azasilagermane)iron tetracarbonyl

Conditions
ConditionsYield
In benzene To a soln. of Ge compd. in benzene is added the carbonyl compd., suspn. is stirred for 12 h.; Recrystn. from toluene, NMR.;A n/a
B 97%
15321-51-4

diiron nonacarbonyl

38611-86-8

1,3-bis(diphenylstibino)propane

13463-40-6

iron pentacarbonyl

[(Fe(CO)4)2((C6H5)2Sb(CH2)3Sb(C6H5)2)]

Conditions
ConditionsYield
In tetrahydrofuran (N2); soln. of Fe complex (2 equiv.) and Sb ligand in THF was stirred atroom temp. for 2 d; filtered; volatiles removed (vac.);A n/a
B 97%
15321-51-4

diiron nonacarbonyl

33446-84-3

1,1-dimethoxy-1-silacyclobutane

13463-40-6

iron pentacarbonyl

B

68046-55-9

2,2,2,2-tetracarbonyl-1,1-dimethoxy-1-sila-2-ferracyclopentane

Conditions
ConditionsYield
In benzene addn. of 2 equiv. of Si-compd. to Fe-complex suspn. (held above freezingpoint), warming to 21°C, stirring (12 h); removal of Fe(CO)5 and solvent (vac.), distn. (1E-2 Torr, 30°C); elem. anal.;A n/a
B 96%
With carbon monoxide In not given N2-atmosphere;

disodium tetracarbonylferrate

124-38-9

carbon dioxide

13463-40-6

iron pentacarbonyl

B

497-19-8

sodium carbonate

Conditions
ConditionsYield
In tetrahydrofuran reductive disproportionation, mechanism discussed;; IR; iron carbonyl not isolated;;A 82%
B 94%
15321-51-4

diiron nonacarbonyl

Fe(CO)4CCC(C4H9)2

13463-40-6

iron pentacarbonyl

B

μ-(Di-tert-butylallenyliden)-bis(tetracarbonyleisen)(Fe-Fe)

Conditions
ConditionsYield
In petroleum ether addn. of Fe2(CO)9 to soln. of Fe org. complex, stirring for 30 min at 40°C; filtering, chromy., recrystn. from petroleum ether;A n/a
B 92%
122190-26-5

N(C6H4OCH3)C(O)(C(COOCH3))2C(CH3)C(CH3)N(C6H4OCH3)Fe(CO)3

13463-40-6

iron pentacarbonyl

B

1-(4-methoxyphenyl)-3,4-dicarbomethoxy-5-methyl-5(1-{N-(4-methoxyphenyl)imino}ethyl)-1,5-dihydropyrrol-2-one

Conditions
ConditionsYield
In acetone in a steel autoclave with glass insert, keeping at 75-90 °C, 4 d, under 180 bar of CO pressure; evapn. of the solvent and Fe(CO)5;A n/a
B 90%
15321-51-4

diiron nonacarbonyl

Cr(C(C6H3Me2-2,6))(CO)2(η-C5H5)

13463-40-6

iron pentacarbonyl

B

17685-52-8

triiron dodecarbonyl

C

CrFe(μ-C(C6H4Me2-2,6))(CO)5(η-C5H5)

Conditions
ConditionsYield
In tetrahydrofuran N2, stirring for 6 h at room temp.;; evapd., dissolved in CH2Cl2/light petroleum 1/1, chromd. (alumina, CH2Cl2/light petroleum 1/1), evapd., elem. anal.;A n/a
B n/a
C 88%
2295-12-7

1,1-dimethylsilacyclobutane

15321-51-4

diiron nonacarbonyl

13463-40-6

iron pentacarbonyl

B

17685-52-8

triiron dodecarbonyl

C

39114-08-4

2,2,2,2-tetracarbonyl-1,1-dimethyl-1-sila-2-ferracyclopentane

Conditions
ConditionsYield
In benzene addn. of 2 equiv. of Si-compd. to Fe-complex suspn. (held above freezingpoint), warming to 21°C, stirring (24 h); removal of Fe(CO)5 and solvent (vac.), dissoln. in hexane, crystn. (-30°C, several days), filtration off of Fe3(CO)12, evapn. of filtrate(vac., low temp.), sublimation (1E-3 Torr, 0°C); elem. anal.;A n/a
B n/a
C 86%
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Chemistry

CAS: 13463-40-6
EINECS: 236-670-8
Following is the Molecular Structure of Iron pentacarbonyl (13463-40-6):

SMILES: C(#O)[Fe](C#O)(C#O)(C#O)C#O
InChI: InChI=1/5CO.Fe/c5*1-2;/rC5FeO5/c7-1-6(2-8,3-9,4-10)5-11
InChIKey: FYOFOKCECDGJBF-OZYZBPEXAA
Std.InChI: InChI=1S/5CO.Fe/c5*1-2
Std.InChIKey: FYOFOKCECDGJBF-UHFFFAOYSA-N
Molecular Formula: C5H10FeO5
Molecular Weight: 205.97
Melting Point: -20℃
Boiling Point: 103℃(lit.)
Flash Point: -15℃
Density: 1.49g/mL at 25℃(lit.)
Vapour Pressure: 35mm Hg( 25℃)
Refractive Index: n20/D 1.5196(lit.)

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 100mg/kg (100mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0591-1177,
guinea pig LCLo inhalation 140ppm/30M (140ppm)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0591-1177,
guinea pig LD50 oral 22mg/kg (22mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943.
mouse LC50 inhalation 2190mg/m3/30M (2190mg/m3)   AMA Archives of Industrial Health. Vol. 19, Pg. 11, 1959.
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0591-1177,
mouse LD50 oral 62mg/kg (62mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(6), Pg. 52, 1982.
rabbit LCLo inhalation 250ppm/45M (250ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 335, 1969.
rabbit LD50 intravenous 11mg/kg (11mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943.
rabbit LD50 oral 12mg/kg (12mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943.
rabbit LD50 skin 56mg/kg (56mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. OTS0535885,
rabbit LD50 subcutaneous 240mg/kg (240mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943.
rat LC50 inhalation 10ppm/4H (10ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0535889,
rat LD50 oral 25mg/kg (25mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0591-1177,

Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes:  F Flammable,  T+ Very Toxic.
Risk Statements: 11-24-26/28
R11: Highly Flammable.
R24: Toxic in contact with skin.
R26/28: Very Toxic by inhalation and if swallowed.
Safety Statements: 16-26-28-36/37/39-45
S16: Keep away from sources of ignition-No smoking.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 1994 6.1/PG 1
WGK: Germany 2
RTECS: NO4900000
F: 10
TSCA: Yes
HazardClass: 6.1
PackingGroup: I
A poison by inhalation, skin contact, ingestion, subcutaneous, and intravenous routes. Inhalation causes dizziness, nausea, and vomiting. If continued, unconsciousness follows. Often there is a delayed reaction of chest pain, cough, and difficult breathing. There may be cyanosis and circulatory collapse. In fatal cases, death occurs from the fourth to eleventh day with pneumonitis and injury to kidneys, liver, and brain. Iron carbonyl is less toxic than nickel carbonyl.A very dangerous fire and moderate explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Warning: pyrophoric in air. Mixtures with nitrogen oxide explode above 50℃. Violent reaction with zinc + transition metal halides (e.g., cobalt halides, rhodium halides, ruthenium halides). Mixtures with acetic acid + water produce a pyrophoric powder. To fight fire, use water, foam, CO2, dry chemical.

Standards and Recommendations

OSHA PEL: TWA 0.1 ppm (Fe); STEL 0.2 ppm
ACGIH TLV: TWA 0.1 ppm (Fe); STEL 0.2 ppm
DFG MAK: 0.1 ppm (0.81 mg/m3)
DOT Classification:  6.1; Label: Poison, Flammable Liquid

Specification

 Iron pentacarbonyl (13463-40-6),which also can be called for (Betab-5-11)-ironcarbonyl(Fe(CO)5) ; Fe(CO)5 ; Ferpentacarbonyle ; Ferpentacarbonyle(French) ; Iron carbonyl (Fe(CO)5) ; Iron carbonyl (Fe(CO)5),(tb-5-11)- ; Ironcarbonyl(Fe(CO)5) ; Ironcarbonyl(Fe(CO)5),(tb-5-11) . Iron pentacarbonyl (13463-40-6) is a yellow-orange to brown liquid and it's insoluble in water and denser than water.Be attention fo it's very toxic by inhalation, ingestion, and skin absorption.This chemical is a highly flammable and air sensitive.It's stable in dry air.