iron(3+) ion triammonium trioxalate

• ChemBase ID: 111901
• Molecular Formular: C6H12FeN3O12
• Molecular Mass: 374.01738
• Monoisotopic Mass: 373.97703534
• SMILES: [NH4+].[NH4+].[NH4+].[Fe+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[NH4+].[NH4+].[NH4+].[Fe+3]
• InChI: InChI=1S/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3
• InChIKey: UEUDBBQFZIMOQJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion triammonium trioxalate
• IUPAC Traditional name: ferric iron triammonium trioxalate ion; iron(3+) ion triammonium trioxalate
• Synonyms: FERRIC AMMONIUM OXALATE; Ferric ammonium oxalate; Iron(III) ammonium oxalate; Ammonium iron(III) oxalate trihydrate; Ammonium iron(III) oxalate hydrate; 三水合草酸铁铵(III); 水合草酸铁(III)铵

Database IDs

• CAS Number: 14221-47-7; 13268-42-3
• EC Number: 238-090-0; 220-952-2
• MDL Number: MFCD00150137; MFCD00013071
• Merck Index: 14517
• PubChem SID: 162098106
• PubChem CID: 26580

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in water. Insoluble in alcohol
• Apperance: Powder
• Melting Point: dec.
• Density: 1.780

Safety Information

• Storage Warning: Light Sensitive & Hygroscopic
• RTECS: LJ8932000
• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi)
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22; R:36/37/38-58
• Safety Statements: 24/25; S:20-25-26-37/39-61
• 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: 98%

DETAILS

MP Biomedicals - 05221641

MP Biomedicals Rare Chemical collection