iron(3+) ion tetrahydrate phosphate

• ChemBase ID: 145389
• Molecular Formular: FeH8O8P
• Molecular Mass: 222.877481
• Monoisotopic Mass: 222.93061635
• SMILES: O.O.O.O.[O-]P(=O)([O-])[O-].[Fe+3]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.O.O.O.[Fe+3]
• InChI: InChI=1S/Fe.H3O4P.4H2O/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);4*1H2/q+3;;;;;/p-3
• InChIKey: RTOYJIFECJCKIK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion tetrahydrate phosphate
• IUPAC Traditional name: iron(3+) ion tetrahydrate phosphate
• Synonyms: Ferric phosphate tetrahydrate; Iron(III) phosphate tetrahydrate; 磷酸铁 四水合物; 磷酸铁(III) 四水合物

Database IDs

• CAS Number: 31096-47-6
• EC Number: 233-149-7
• MDL Number: MFCD00150237
• PubChem SID: 162239595; 24867272
• PubChem CID: 16212846

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

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (RT)
• Grade: purum
• Compostion: Fe, 24%
• Linear Formula: FePO4 · 4H2O

DETAILS

Sigma Aldrich - 436038

Packaging
100 g in glass bottle