zirconium(4+) ion dihydrogen phosphate

• ChemBase ID: 151151
• Molecular Formular: H2O8P2Zr
• Molecular Mass: 283.182602
• Monoisotopic Mass: 281.82719428
• SMILES: OP(=O)([O-])[O-].OP(=O)([O-])[O-].[Zr+4]
• Canonical SMILES: [O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[Zr+4]
• InChI: InChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+4/p-4
• InChIKey: QOKYJGZIKILTCY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion dihydrogen phosphate
• IUPAC Traditional name: zirconium(4+) ion dihydrogen phosphate
• Synonyms: Zirconium(IV) hydrogenphosphate; 磷酸氢锆(IV)

Database IDs

• CAS Number: 13772-29-7
• EC Number: 237-401-7
• MDL Number: MFCD00799602
• PubChem SID: 162245309; 24870152
• PubChem CID: 9817245

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 3.3 g/mL at 25 °C(lit.)

Safety Information

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

Product Information

• Linear Formula: Zr(HPO4)2

DETAILS

Sigma Aldrich - 464236

Packaging
250 g in glass bottle
Application
Employed in the preparation of layered organic-inorganic, hybrid, conducting materials.1