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Ferrous oxalate dihydrate

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  • Name Ferrous oxalate dihydrate
  • EINECS208-217-4
  • CAS No. 1047-25-2
  • Density2.28 g/mL at 25 °C(lit.)
  • PSA98.72000
  • LogP-3.64490
  • SolubilityN/A
  • Melting Point236-237 °C
  • FormulaC2H4FeO6
  • Boiling Point365.1 °C at 760 mmHg
  • Molecular Weight179.89
  • Flash Point188.8 °C
  • Transport InformationN/A
  • Appearancepowder
  • Safety24/25
  • Risk Codes21/22
  • Molecular Structure
    Molecular Structure of 1047-25-2 (IRON(II) OXALATE DIHYDRATE)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn

Ferrous oxalate dihydrate Specification

The molecular formula of Ferrous oxalate dihydrate is C2H4FeO6. And the systematic name of this chemical is iron(2+) ethanedioate hydrate (1:1:2). With the CAS registry number 1047-25-2, it is also named as ethanedioic acid, iron(2+) salt, hydrate (1:1:2). It is powder which should be avoided direct sunshine. You should be cautious while dealing with this chemical. It is harmful if you contact with skin or swollowed it. Therefore, you had better take measures to avoid contact with skin or eyes.

The other characteristics of this product can be summarized as: (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.

People can use the following data to convert to the molecule 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

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