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Ferrous acetylacetonate

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Name

Ferrous acetylacetonate

EINECS 237-851-4
CAS No. 14024-17-0 Density N/A
PSA 68.28000 LogP 1.10650
Solubility N/A Melting Point 175 °C (dec.)(lit.)
Formula C10H14FeO4 Boiling Point 187.6oC at 760 mmHg
Molecular Weight 254.06 Flash Point 71.9oC
Transport Information N/A Appearance dark brown powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14024-17-0 (Iron,bis(2,4-pentanedionato-kO,kO')- (9CI)) Hazard Symbols IrritantXi
Synonyms

Iron,bis(2,4-pentanedionato)- (6CI,7CI,8CI);Iron, bis(2,4-pentanedionato-O,O')-;Bis(2,4-pentanedionato)iron;Bis(acetylacetonate)iron;Bis(acetylacetonato)iron;Ferrous acetylacetonate;Ironbis(acetylacetonate);Iron(II) acetylacetonate;NSC 141152;

 

Ferrous acetylacetonate Synthetic route

14024-17-0

iron(acetylacetonate)2

2Li(1+)*{(C5H3)Si2(CH3)4Si2(CH3)4(C5H3)}(2-) = Li2{(C5H3)Si2(CH3)4Si2(CH3)4(C5H3)}

51905-34-1

pentamethylcyclopentadienyllithium

135043-07-1

((C5H3)Si2(CH3)4Si2(CH3)4(C5H3))Fe

Conditions
ConditionsYield
In tetrahydrofuran byproducts: Li(acac), LiC5Me5; to a solution of Fe(acac)2 was added a suspension of C5Me5Li at -80°C; stirring for 30 min at -60°C; warmed at 0°C; the Si-compound was added at -70°C; warmed; stirring 1 h at room temperature; evaporated in vacuo; residue was treated with hexane; solution was evaporated; crystallization at -20°C; elem. anal.;40%

Ferrous acetylacetonate Specification

This chemical is called Ferrous acetylacetonate, and it can also be named as Bis(2,4-pentanedionato)iron. With the molecular formula of C10H14FeO4, its molecular weight is 254.06. The CAS registry number of this chemical is 14024-17-0. Additionally, this chemical is dark brown powder.

Other characteristics of the Ferrous acetylacetonate can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.16; (8)ACD/KOC (pH 7.4): 31.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 71.9 °C; (14)Enthalpy of Vaporization: 49.32 kJ/mol; (15)Boiling Point: 187.6 °C at 760 mmHg; (16)Vapour Pressure: 0.174 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, and it causes burns easily. You should wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [Fe+2].O=C(/C=C(\[O-])C)C.[O-]\C(=C/C(=O)C)C
2.InChI: InChI=1/2C5H8O2.Fe/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
3.InChIKey: LFORAFQNBQKDRY-IRFJMQAXBY

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