dioxozirconium; oxo[(oxoyttrio)oxy]yttrium

• ChemBase ID: 139098
• Molecular Formular: O5Y2Zr
• Molecular Mass: 349.0327
• Monoisotopic Mass: 347.6909731
• SMILES: O=[Y]O[Y]=O.O=[Zr]=O
• Canonical SMILES: O=[Y]O[Y]=O.O=[Zr]=O
• InChI: InChI=1S/5O.2Y.Zr
• InChIKey: KSTOPEBVPBSOTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxozirconium; oxo[(oxoyttrio)oxy]yttrium
• IUPAC Traditional name: oxo[(oxoyttrio)oxy]yttrium; zirconia
• Synonyms: YSZ-8; YSZ; Zirconium(IV) oxide-yttria stabilized; 氧化钇稳定氧化锆(IV)

Database IDs

• CAS Number: 308076-80-4
• MDL Number: MFCD00145546
• PubChem SID: 24874798; 162233348
• PubChem CID: 16213869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4316
• LogD (pH = 7.4): -0.4316
• Log P: -0.4316
• Molar Refractivity: 4.236 cm^3
• Polarizability: 11.059541 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder; pellets (for sputtering); submicron powder
• Melting Point: >2,600 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 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: 99.5% trace metals basis (purity excludes ~2% HfO2); 99.9% trace metals basis (purity excludes ~2% HfO2)
• Particle Size: ~500 nm; ~700 nm; <100 nm (BET); ≤100 nm; 5-10 nm (crystallite size)
• Compostion: (ZrO2)0.92(Y2O3)0.08; (ZrO2)0.947(Y2O3)0.053; (ZrO2)0.97(Y2O3)0.03; (ZrO2)1-x(Y2O3)x; yttria, 8 mol %
• Contains: ~5.3 mol % yttria as stabilizer; ~8 wt. % yttria as stabilizer; 0-10 mol % yttria as stabilizer; 3 mol % yttria as stabilizer; 8 mol % yttria as stabilizer
• Surface Area: >100 m2/g; 10-25 m2/g; 40-60 m2/g (BET); 5.5 m2/g; 6.9 m2/g
• diam. × H: 2-3 mm × 3-5 mm
• Linear Formula: ZrO2 · Y2O3

DETAILS

Sigma Aldrich - 544779

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Packaging
25 g in poly bottle
Protocols & Applications
Advances in Materials for Solid Oxide Fuel Cells

Sigma Aldrich - 464228

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Packaging
100 g in poly bottle
500 g in glass bottle
Protocols & Applications
Advances in Materials for Solid Oxide Fuel Cells

Sigma Aldrich - 572322

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Packaging
25 g in glass bottle
Protocols & Applications
Advances in Materials for Solid Oxide Fuel Cells

Sigma Aldrich - 464201

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Packaging
500 g in glass bottle
Protocols & Applications
Advances in Materials for Solid Oxide Fuel Cells

Sigma Aldrich - 572349

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Other Notes
Alternative CAS number: 114168-16-0
Packaging
25 g in glass bottle
Protocols & Applications
Advances in Materials for Solid Oxide Fuel Cells

Sigma Aldrich - 734683

Application
Electrolyte material for solid oxide fuel cells (SOFC).
Packaging
10 g in glass bottle