zirconium(4+) ion tetrahydrate disulfate

• ChemBase ID: 303702
• Molecular Formular: H8O12S2Zr
• Molecular Mass: 355.41032
• Monoisotopic Mass: 353.8504217
• SMILES: O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.[Zr+4]
• InChI: InChI=1S/2H2O4S.4H2O.Zr/c2*1-5(2,3)4;;;;;/h2*(H2,1,2,3,4);4*1H2;/q;;;;;;+4/p-4
• InChIKey: NLOQZPHAWQDLQW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion tetrahydrate disulfate
• IUPAC Traditional name: zirconium(4+) ion tetrahydrate disulfate
• Synonyms: Zirconium(IV) sulfate tetrahydrate; 硫酸锆(IV)四水合物

Database IDs

• CAS Number: 7446-31-3
• EC Number: 238-694-4
• MDL Number: MFCD00149267
• Merck Index: 1410182

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

• Apperance: Crystalline
• Density: 3.22

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• 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: 99.99% (metals basis)