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Ferrous oxalate dihydrate

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Name

Ferrous oxalate dihydrate

EINECS 208-217-4
CAS No. 1047-25-2 Density 2.28 g/mL at 25 °C(lit.)
PSA 98.72000 LogP -3.64490
Solubility N/A Melting Point 236-237 °C
Formula C2H4FeO6 Boiling Point 365.1 °C at 760 mmHg
Molecular Weight 179.89 Flash Point 188.8 °C
Transport Information N/A Appearance powder
Safety 24/25 Risk Codes 21/22
Molecular Structure Molecular Structure of 1047-25-2 (IRON(II) OXALATE DIHYDRATE) Hazard Symbols HarmfulXn
Synonyms

green vitriol

 

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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