zirconium(4+) ion disulfate

• ChemBase ID: 146803
• Molecular Formular: O8S2Zr
• Molecular Mass: 283.3492
• Monoisotopic Mass: 281.80816296
• SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
• InChI: InChI=1S/2H2O4S.Zr/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4
• InChIKey: ZXAUZSQITFJWPS-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7446-31-3; 14644-61-2
• EC Number: 238-694-4
• MDL Number: MFCD00085312; MFCD00149267
• Merck Index: 1410182
• PubChem SID: 162240995; 24874095
• PubChem CID: 26793

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

• Solubility: ethanol: slightly soluble; H2O: slightly soluble; Soluble in water
• Apperance: -20 Mesh; liquid
• Density: 3.22

Safety Information

• RTECS: ZH9100000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3264
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; 36/38
• Safety Statements: 26-27-36/37/39-45; 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
• RID/ADR: UN 3264 8/PG 3

Product Information

• Purity: 98+% (metals basis); 99.9% trace metals basis (purity excludes Hf)
• Concentration: 35 wt. % in H2O
• Linear Formula: Zr(SO4)2

DETAILS

Sigma Aldrich - 520187

Packaging
2 L in poly bottle