oxo[(oxoyttrio)oxy]yttrium; oxobarium; oxocopper

• ChemBase ID: 146079
• Molecular Formular: BaCuO5Y2
• Molecular Mass: 458.6817
• Monoisotopic Mass: 458.6211136
• SMILES: O=[Cu].O=[Y]O[Y]=O.O=[Ba]
• Canonical SMILES: O=[Y]O[Y]=O.O=[Cu].O=[Ba]
• InChI: InChI=1S/Ba.Cu.5O.2Y
• InChIKey: OHBOMLDLKVPQKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo[(oxoyttrio)oxy]yttrium; oxobarium; oxocopper
• IUPAC Traditional name: barium oxide; copper(II) oxide; oxo[(oxoyttrio)oxy]yttrium
• Synonyms: Yttrium barium copper oxide; 钇钡铜氧化物

Database IDs

• CAS Number: 107539-20-8
• MDL Number: MFCD00213924
• PubChem SID: 24859388; 24861918; 162240278
• PubChem CID: 71311203

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: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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: 99.9%
• Particle Size: ≤5 μm
• Linear Formula: YBa2Cu3Ox, x ~ 6.7-9.5

DETAILS

Sigma Aldrich - 328626

Packaging
10 g in glass bottle

Sigma Aldrich - 357464

Packaging
10 g in glass bottle
Physical form
High Tc superconductor powder
Features and Benefits
produced for optimum phase purity (>99%) and sinterability.