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Basic information

  • Name:
  • Ferrous oxalate dihydrate

  • CAS No.:
  • 1047-25-2

  • Molecular Structure:
  • Formula:
  • C2H4FeO6
  • Molecular Weight:
  • 179.89
  • EINECS:
  • 208-217-4
  • Density:
  • 2.28 g/mL at 25 °C(lit.)
  • Boiling Point:
  • 365.1 °C at 760 mmHg
  • Flash Point:
  • 188.8 °C
  • Appearance:
  • powder
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 21/22
  • Safety Description:
  • 24/25 Details

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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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