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7439-89-6

Basic Information
CAS No.: 7439-89-6
Name: Iron
Article Data: 1624
Cas Database
Molecular Structure:
Molecular Structure of 7439-89-6 (Iron)
Formula: Fe
Molecular Weight: 55.847
Synonyms: Eisen;Ferrum;Hierro;Iron, elemental;
EINECS: 231-096-4
Density: 1.05 g/mL at 20 °C
Melting Point: 1535 °C(lit.)
Boiling Point: 2750 °C(lit.)
Flash Point: >230 °F
Solubility: insoluble in water
Appearance: grey crystalline powder, rod or chips
Hazard Symbols: FlammableF, IrritantXi
Risk Codes: 36/38-11-17
Safety: 26-16-33
Transport Information: UN 3264 8/PG 3
PSA: 0.00000
LogP: -0.00250
Synthetic route

iron(III) oxide

Conditions
ConditionsYield
With hydrogen In neat (no solvent) passing H2 over Fe2O3 at 350°C over period of 36 h, at 440°C 12 h or at 500°C in fast reaction;;100%
With H2 In neat (no solvent) passing H2 over Fe2O3 at 350°C over period of 36 h, at 440°C 12 h or at 500°C in fast reaction;;100%
With hydrogen In neat (no solvent) reduction of Fe2O3 at 600°C leads to formation of powdered Fe, at 1000°C formed Fe hardly fragile;;

goethite

1333-74-0

hydrogen

Conditions
ConditionsYield
In neat (no solvent) Isothermal heat treatment for 2 h at 400°C.;100%

iron(II) chloride

Conditions
ConditionsYield
With 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-diaza-2,5-cyclo-hexadiene In tetrahydrofuran at 20℃; for 6h; Inert atmosphere;100%
With hydrogen In neat (no solvent) heated with H2 at approx. 350 °C; formation of pyrophoric Fe;;
With aluminium trichloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride In melt Electrochem. Process; (He or Ar); dissoln. of FeCl2 in AlCl3/1-ethyl-3-methyimidazoline chloride ionic liquid (room temp.), chronoamperometric electrodeposition (tungsten electrode substrate, -0.35 V vs. Fe/Fe(II), 120 s, room temp.);
111496-23-2

LaFe(1+)

A

La(1+)

Conditions
ConditionsYield
In gas collision induced dissocn. reaction (argon) in a mass spectrometer; energy range 17-78 eV; total pressure: 4E-6 Torr; not isolated;A 100%
B 100%

iron(III) oxide

Conditions
ConditionsYield
With water; lithium chloride In melt at 660℃; for 5h; Inert atmosphere; Electrolysis;98.4%
13463-40-6

iron pentacarbonyl

876938-53-3

Cyclohepta-1,3-diene

A

40674-86-0

tricarbonyl(η-3-cyclohepta-1,3-diene)iron

Conditions
ConditionsYield
In dibutyl ether cycloheptadiene stirred in n-Bu2O while N2 bubbled through mixt. for 15h, Fe(CO)5 added, heated with stirring at 150°C for 44 h, cooled; filtered through Celite, evapd. in vac.;A 93%
B n/a
7705-08-0

iron(III) chloride

22560-16-3

lithium triethylborohydride

Conditions
ConditionsYield
In tetrahydrofuran FeCl3 in THF was added dropwise to stirring soln. of 12 ml LiBEt3H in THF (1.0 M), held at const. temp. under N2 atm.; forms of particles dependon dropping rate (1 drop/10s, 1/s, 2/s), stirring rate (200, 400, 1600 rpm) and temp.(0 - 60°C); vac. filtration, washed THF/EtOH (1:1), dried in vac.;90%

1-trimethylsilyl-μ3-S,S'-ethylenedithiolatohexacarbonyldiiron

A

iron sulfide

B

(CH3)3SiC2H3S8Fe7

D

4-Trimethylsilanyl-[1,3]dithiolan-2-one

E

754-05-2

ethenyltrimethylsilane

Conditions
ConditionsYield
In decane byproducts: CH2CH2, CH3CHCH2, CO; Ar atmosphere; decompn. (165°C, 13 h); further products; GLC, chromato-mass spectroscopy;A n/a
B n/a
C n/a
D 5%
E 75%
14243-23-3

(μ-dithio)bis(tricarbonyliron)

Fe3-μ-(o-C6H4CH2NPh)(CO)8

A

iron sulfide

B

Fe2-μ-(o-C6H4CH2NPh)(CO)6

C

Fe3(CO)9S2

Conditions
ConditionsYield
In n-heptane N2 atmosphere; stirring (70°C, 40 min); filtn., evapn., chromy. (silica gel);A n/a
B 66%
C 25%
D n/a
12086-84-9

benzothiaferrole

A

3986-98-9

2-thiocoumarin

C

95-15-8

Benzo[b]thiophene

Conditions
ConditionsYield
flash vac. pyrolysis in a Pyrex tube connected with a cold trap (E-5 Torr, 285-315°C); coating of the hot zone by Fe, rinsing of trap with acetone, GC;A <1
B n/a
C 63%
With ceric ammonium nitrate In acetone addn. of (NH4)2Ce(NO3)6 to a stirred soln. of Fe-compound in acetone (5 min, air), stirring for 2 h; monitored by TLC (hexane), filtn. (Celite), dilution of filtrate with ether, filtn. and evapn. to dryness, GLC of white crystals in acetone, TLC (CH2Cl2/hexane=1:1), (1)H NMR, IR, elem. anal.;A 35.5%
B 36%
C 4.4%
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History

   The first wrought Iron used by mankind during prehistory came from meteors. The smelting of iron in bloomeries began in the second millennium BC. Artefacts from smelted iron occur in India from 1800-1200 BC.in the Levant from about 1500 BC.
   Cast Iron was first produced in China about 550 BC, but not in Europe until the medieval period.  

Consensus Reports

Reported in EPA TSCA Inventory.

Analytical Methods

For occupational chemical analysis use NIOSH: Elements (ICP), 7300; Metals in Urine (ICP), 8310.

Specification

The IUPAC name of this chemical is Iron. With the CAS registry number 7439-89-6 and EINECS registry number 231-096-4, it is also named as Iron, elemental. In addition, the molecular formula is Fe and the molecular weight is 55.85. It is a kind of and belongs to the classes of Inorganics; Alphabetic; Analytical Standards; Application CRMs; ICertified Reference Materials (CRMs); Industrial Raw MaterialsReference/Calibration Standards; IRMM/BCR Certified Reference Materials; Matrix CRMs; Reactor DosimetryCertified Reference Materials (CRMs); Reactor Neutron Dosimetry; Reactor Neutron DosimetryCertified Reference Materials (CRMs).

Preparation of Iron: it can be prepared by iron hydroxide or iron oxide with hydrogen. It is a kind of reduction reaction. The equations are as follows: 2Fe(OH)3 + 3H2 → 2Fe + 6H2O; Fe2O3 + 3H2 → 2Fe + 3H2O. Also it can be get by oxalic acidiron and ammonia. The reaction temperature is 400-500 °C. You should get the oxalic acidiron from sulfuric acidiron and sodium oxalate at first.

Uses of Iron: it can react with water to get iron oxide. The equations are as follows: Fe + H2O → FeO + H2; 2Fe + 3H2O → Fe2O3 + 3H2; 3Fe + 4H2O → Fe3O4 + 4H2. And it reacts with oxygen in the air to form various oxide and hydroxide compounds; the most common are iron(II,III) oxide (Fe3O4), and iron(III) oxide (Fe2O3). In addition, it is used as gel, catalyst, absorbent, reductant and sintering surfactant. Also it can be used for powder metallurgy products, mechanical parts products and hard alloy material products. Moreover, it can be used in preparation of magnets, drugs, ink, paint and abrasive.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe]
(2)InChI: InChI=1/Fe
(3)InChIKey: XEEYBQQBJWHFJM-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 77mg/kg (77mg/kg) BEHAVIORAL: IRRITABILITY

GASTROINTESTINAL: NAUSEA OR VOMITING

BLOOD: NORMOCYTIC ANEMIA
Journal of Toxicology, Clinical Toxicology. Vol. 25, Pg. 251, 1987.
guinea pig LD50 oral 20gm/kg (20000mg/kg)   Indian Journal of Pharmacy. Vol. 13, Pg. 240, 1951.
rabbit LDLo intraperitoneal 20mg/kg (20mg/kg)   National Technical Information Service. Vol. PB158-508,
rat LD50 oral 30gm/kg (30000mg/kg)   Indian Journal of Pharmacy. Vol. 13, Pg. 240, 1951.