λ2-iron(2+) ion dihydrate oxalate

• ChemBase ID: 295289
• Molecular Formular: C2H4FeO6
• Molecular Mass: 179.89456
• Monoisotopic Mass: 179.93572535
• SMILES: C(=O)(C(=O)[O-])[O-].O.O.[Fe+2]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].O.O.[Fe+2]
• 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
• InChIKey: NPLZZSLZTJVZSX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion dihydrate oxalate
• IUPAC Traditional name: λ^2-iron(2+) ion dihydrate oxalate
• Synonyms: Iron(II) oxalate hydrate; Iron(II) oxalate dihydrate, Puratronic®; Iron(II) oxalate dihydrate; 草酸亚铁(II)水合物; 草酸亚铁 二水合物, Puratronic®; 草酸亚铁(II) 二水合物

Database IDs

• CAS Number: 516-03-0; 6047-25-2
• EC Number: 208-217-4
• MDL Number: MFCD00012475; MFCD00150040
• PubChem SID: 180680820
• PubChem CID: 516788

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in acids
• Apperance: Powder
• Melting Point: 190°C dec.
• Density: 2.28

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 2-24/25; 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 96%; 99%; 99.999% (metals basis)