dioxozirconium; sulfuric acid

• ChemBase ID: 147353
• Molecular Formular: H2O6SZr
• Molecular Mass: 221.30128
• Monoisotopic Mass: 219.86191278
• SMILES: OS(=O)(=O)O.O=[Zr]=O
• Canonical SMILES: OS(=O)(=O)O.O=[Zr]=O
• InChI: InChI=1S/H2O4S.2O.Zr/c1-5(2,3)4;;;/h(H2,1,2,3,4)
• InChIKey: FEDRAWJBXIRHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxozirconium; sulfuric acid
• IUPAC Traditional name: sulfuric acid; zirconia
• Synonyms: Zirconium(IV) oxide, sulfated; 硫酸氧化锆(IV)

Database IDs

• PubChem SID: 162241542; 24873264
• PubChem CID: 16213688

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99% (purity determined on metals basis)
• Pore Size: 32 Å pore (mesoporous)

DETAILS

Sigma Aldrich - 499242

Packaging
1 g in glass bottle