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CAS No.: | 13463-40-6 |
---|---|
Name: | Ironpentacarbonyl |
Article Data: | 264 |
Molecular Structure: | |
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 |
Conditions | Yield |
---|---|
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% |
triiron dodecarbonyl
iron pentacarbonyl
Conditions | Yield |
---|---|
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; |
diiron nonacarbonyl
((t-Bu)4(Me)2azasilagermane)
iron pentacarbonyl
B
((t-Bu)4(Me)2azasilagermane)iron tetracarbonyl
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
diiron nonacarbonyl
1,1-dimethoxy-1-silacyclobutane
iron pentacarbonyl
B
2,2,2,2-tetracarbonyl-1,1-dimethoxy-1-sila-2-ferracyclopentane
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
In tetrahydrofuran reductive disproportionation, mechanism discussed;; IR; iron carbonyl not isolated;; | A 82% B 94% |
diiron nonacarbonyl
iron pentacarbonyl
Conditions | Yield |
---|---|
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% |
N(C6H4OCH3)C(O)(C(COOCH3))2C(CH3)C(CH3)N(C6H4OCH3)Fe(CO)3
iron pentacarbonyl
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
1,1-dimethylsilacyclobutane
diiron nonacarbonyl
iron pentacarbonyl
B
triiron dodecarbonyl
C
2,2,2,2-tetracarbonyl-1,1-dimethyl-1-sila-2-ferracyclopentane
Conditions | Yield |
---|---|
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% |
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.)
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, |
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
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.
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
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.