λ2-iron(2+) ion diammonium hexahydrate disulfate

• ChemBase ID: 295250
• Molecular Formular: FeH20N2O14S2
• Molecular Mass: 392.1388
• Monoisotopic Mass: 391.97053283
• SMILES: [NH4+].[NH4+].O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[NH4+].O.O.O.O.O.O.[Fe+2]
• InChI: InChI=1S/Fe.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2
• InChIKey: MQLVWQSVRZVNIP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion diammonium hexahydrate disulfate
• IUPAC Traditional name: λ^2-iron(2+) ion diammonium hexahydrate disulfate
• Synonyms: Ammonium iron(II) sulfate hexahydrate, ACS; Iron(II) ammonium sulfate; Ferrous ammonium sulfate; Ammonium iron(II) sulfate hexahydrate; Ammonium iron(II) sulfate hydrate, Puratronic®; 六水合硫酸亚铁铵(II), ACS; 六水合硫酸亚铁(II)铵; 硫酸亚铁铵(II)水合物, Puratronic®

Database IDs

• CAS Number: 7783-85-9
• EC Number: 233-382-4
• MDL Number: MFCD00150530
• Merck Index: 14521
• PubChem SID: 180680781
• PubChem CID: 15942308

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water. Insoluble in alcohol
• Apperance: Coarse Powder; Crystalline
• Melting Point: ca 100°C dec.
• Density: 1.864

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: BR6500000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98.5-101.5%; 99%; 99.999% (metals basis)