dioxozirconium

• ChemBase ID: 141942
• Molecular Formular: O2Zr
• Molecular Mass: 123.2228
• Monoisotopic Mass: 121.89453324
• SMILES: O=[Zr]=O
• Canonical SMILES: O=[Zr]=O
• InChI: InChI=1S/2O.Zr
• InChIKey: MCMNRKCIXSYSNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxozirconium
• IUPAC Traditional name: zirconia
• Synonyms: Zirconia; Zirconium(IV) oxide; 氧化锆; 氧化锆(IV); 氧化锆(IV)分散体

Database IDs

• CAS Number: 1314-23-4
• EC Number: 215-227-2
• MDL Number: MFCD00011310
• PubChem SID: 24883244; 24852303; 24853830; 162236174; 24883252; 24878784
• PubChem CID: 62395

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7028
• LogD (pH = 7.4): -0.7028
• Log P: -0.7028
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 5.9371204 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dispersion; nanoparticles; nanopowder; powder
• Melting Point: 2700 °C(lit.)
• Boiling Point: 5000 °C(lit.)
• Density: 5.89 g/mL at 25 °C(lit.)
• Conductivity: <1.5 mS/cm
• pH: 4-5; 5-6

Safety Information

• RTECS: ZH8800000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 2
• 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; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99% ZrO2 + HfO2 basis; 99% trace metals basis; 99.99% trace metals basis (purity excludes ~2% HfO2)
• Concentration: 10 wt. % in H2O; 5 wt. % in H2O
• Grade: CP; purum
• Particle Size: <100 nm (BET); <100 nm (TEM); 5 μm
• Cation Traces: Fe: ≤300 mg/kg; Ti: ≤1000 mg/kg
• Antion Traces: silicate (as SiO2): ≤3000 mg/kg; sulfate (SO42-): ≤2000 mg/kg
• Surface Area: spec. surface area ≥25 m2/g
• Linear Formula: ZrO2

DETAILS

Sigma Aldrich - 230693

Packaging
100, 500 g in poly bottle
2 kg in poly bottle

Sigma Aldrich - 643025

Features and Benefits
No dispersant added
Packaging
100 mL in glass bottle

Sigma Aldrich - 643122

Features and Benefits
No dispersant added
Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 544760

Packaging
5, 25 g in poly bottle

Sigma Aldrich - 204994

Packaging
10 g in poly bottle