iron(3+) ion hydrate phosphate

• ChemBase ID: 303143
• Molecular Formular: FeH2O5P
• Molecular Mass: 168.831641
• Monoisotopic Mass: 168.89892229
• SMILES: O.[O-]P(=O)([O-])[O-].[Fe+3]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.[Fe+3]
• InChI: InChI=1S/Fe.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3
• InChIKey: RQKNQWUJROKKEQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion hydrate phosphate
• IUPAC Traditional name: iron(3+) ion hydrate phosphate
• Synonyms: Iron(III) phosphate hydrate; 磷酸铁(III)水合物

Database IDs

• CAS Number: 51833-68-2
• EC Number: 233-149-7
• MDL Number: MFCD00016096

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

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