zirconium(4+) ion hydrate disulfate

• ChemBase ID: 147689
• Molecular Formular: H2O9S2Zr
• Molecular Mass: 301.36448
• Monoisotopic Mass: 299.81872764
• SMILES: 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.[Zr+4]
• InChI: InChI=1S/2H2O4S.H2O.Zr/c2*1-5(2,3)4;;/h2*(H2,1,2,3,4);1H2;/q;;;+4/p-4
• InChIKey: UXRMCZYAVOHQNB-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 34806-73-0
• EC Number: 238-694-4
• MDL Number: MFCD00167043
• PubChem SID: 24862704; 162241876
• PubChem CID: 53249516

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: solid
• pH: 1-2 (25 °C, 5%)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: Zr(SO4)2·xH2O

DETAILS

Sigma Aldrich - 366773

Other Notes
may contain excess sulfuric acid
Packaging
25, 125 g in poly bottle