iron(3+) ion ammonium disulfate

• ChemBase ID: 125829
• Molecular Formular: FeH4NO8S2
• Molecular Mass: 266.00866
• Monoisotopic Mass: 265.87277059
• SMILES: [Fe+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[Fe+3]
• InChI: InChI=1S/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3
• InChIKey: XGGLLRJQCZROSE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion ammonium disulfate
• IUPAC Traditional name: iron(3+) ion ammonium disulfate
• Synonyms: Ferric ammonium sulfate; Iron alum; Ammonium iron(III) sulfate

Database IDs

• CAS Number: 10138-04-2
• PubChem SID: 162220175
• PubChem CID: 61485
• Chemspider ID: 55405
• Wikipedia Title: Ammonium_iron(III)_sulfate

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: 1240 g/L in water
• Apperance: Pale violet octahedral crystals
• Melting Point: 39-41 °C
• Density: 1.71 g/cm^3

Safety Information

• Main Hazard: Irritant (Xi)