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CAS No.: | 6047-25-2 |
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Name: | Ferrous oxalate dihydrate |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C2H4FeO6 |
Molecular Weight: | 179.897 |
Synonyms: | Iron,diaqua[ethanedioato(2-)-O,O']-;Oxalic acid, iron(2+) salt (1:1), dihydrate(8CI);Ethanedioic acid, iron(2+) salt (1:1), dihydrate;Ferrous oxalate(FeC2O4) dihydrate;Ferrous oxalate dihydrate;Iron oxalate (FeC2O4) dihydrate;Iron oxalate hydrate (FeC2O4.2H2O);Iron(2+) oxalate dihydrate; |
EINECS: | 208-217-4 |
Density: | 2.28g/mLat 25°C(lit.) |
Melting Point: | 190°C (dec.) |
Boiling Point: | 365.1 °C at 760 mmHg |
Flash Point: | 188.8 °C |
Solubility: | 0,22g/100mlH2O(20) |
Appearance: | Light Yellow Powder |
Hazard Symbols: | Xn |
Risk Codes: | 21/22 |
Safety: | 24/25 |
PSA: | 98.72000 |
LogP: | -3.64490 |
Conditions | Yield |
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In water at 135℃; for 24h; Temperature; | 95.3% |
Conditions | Yield |
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at 150℃; for 15h; | 94.8% |
Conditions | Yield |
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In water autoclave (160°C, 16 h); cooling to room temp. over 4 h, filtration, drying in air, removal of some magnetite with the help of a bar magnet; | A n/a B 68% |
Conditions | Yield |
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With nicotinic acid In water High Pressure; under hydrothermal conditions; Fe complex, nicotinic acid and H2O (molarratio 1:2:1100) in stailess steel vessel heated at 160°C for 3 d; filtered; crystals washed with distd. H2O; dried in air at ambient temp.; elem. anal.; | 50% |
Conditions | Yield |
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With water; iron(II) sulfate; Petroleum ether |
Conditions | Yield |
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With iron (II)-ammonium sulfate |
Conditions | Yield |
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With iron(II) sulfate |
Conditions | Yield |
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In water autoclave (220°C, 40 h); slow cooling to room temp. over 3-4 h; |
Conditions | Yield |
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In water autoclave (160-200°C, 16-19 h); slow cooling to room temp. over 3-4 h; |
Conditions | Yield |
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In water autoclave (180°C, 96 h); slow cooling to room temp. over 3-4 h; |
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The Iron,diaqua[ethanedioato(2-)-kO1,kO2]-, (T-4)-, with CAS registry number 6047-25-2, has the systematic name of iron(2+) ethanedioate hydrate (1:1:2). Besides this, it is also called ethanedioic acid, iron(2+) salt, hydrate (1:1:2). This chemical is a kind of yellow powder. The main use of this chemical is for pharmaceutical industry. And this chemical can be prepared by oxalic acid and FeSO4.
Physical properties of Iron,diaqua[ethanedioato(2-)-kO1,kO2]-, (T-4)-: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.6 Å2; (13)Flash Point: 188.8 °C; (14)Enthalpy of Vaporization: 67.15 kJ/mol; (15)Boiling Point: 365.1 °C at 760 mmHg; (16)Vapour Pressure: 2.51E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Iron,diaqua[ethanedioato(2-)-kO1,kO2]-, (T-4)- is harmful in contact with skin and if swallowed. When use this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+2].[O-]C(=O)C([O-])=O.O.O
(2)InChI: InChI=1/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
(3)InChIKey: NPLZZSLZTJVZSX-NUQVWONBAD
(4)Std. InChI: InChI=1S/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
(5)Std. InChIKey: NPLZZSLZTJVZSX-UHFFFAOYSA-L