iron(3+) ion ammonium dodecahydrate disulfate

• ChemBase ID: 105776
• Molecular Formular: FeH28NO20S2
• Molecular Mass: 482.19202
• Monoisotopic Mass: 481.9995468
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.[NH4+].[Fe+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Fe+3]
• InChI: InChI=1S/Fe.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3
• InChIKey: LCPUDZUWZDSKMX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion ammonium dodecahydrate disulfate
• IUPAC Traditional name: iron(3+) ion ammonium dodecahydrate disulfate; ferric iron ammonium dodecahydrate disulfate
• Synonyms: Ferric ammonium sulfate; Ammonium iron(III) sulfate dodecahydrate; Ammonium ferric sulfate; Ammonium iron[III] sulfate; FERRIC AMMONIUM SULFATE DODECAHYDRATE ACS REAGENT GRADE; Ammonium iron(III) sulfate dodecahydrate; FERRIC AMMONIUM SULFATE DODECAHYDRATE; 十二水合硫酸铁(III)铵

Database IDs

• CAS Number: 7783-83-7
• EC Number: 231-096-4; 233-382-4
• MDL Number: MFCD00150004
• Merck Index: 14521
• PubChem SID: 162088982
• PubChem CID: 197097

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

• Melting Point: 39-41 °C; 39-41°C; 39-41°C
• Density: 1.71; 1.71 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WS5900000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38; R:36/37/38
• Safety Statements: 26-37-60; S:25-37/39
• EU Hazard Identification Number: 11
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: ≥99%; 98+%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02195180

Dodecahydrate
Crystalline
Purity: >99%

MP Biomedicals - 02194044

Dodecahydrate
ACS Reagent Grade
Purity: >99%