bis([(oxobismuthanyl)oxy]bismuthanone); oxocalcium; bis(oxocopper); bis(oxostrontium)

• ChemBase ID: 151068
• Molecular Formular: Bi4CaCu2O11Sr2
• Molecular Mass: 1354.325
• Monoisotopic Mass: 1353.4986628
• SMILES: O=[Ca].O=[Cu].O=[Cu].O=[Sr].O=[Sr].O=[Bi]O[Bi]=O.O=[Bi]O[Bi]=O
• Canonical SMILES: O=[Bi]O[Bi]=O.O=[Bi]O[Bi]=O.O=[Ca].O=[Cu].O=[Cu].O=[Sr].O=[Sr]
• InChI: InChI=1S/4Bi.Ca.2Cu.11O.2Sr
• InChIKey: SCYGCYNQMSDOOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis([(oxobismuthanyl)oxy]bismuthanone); oxocalcium; bis(oxocopper); bis(oxostrontium)
• IUPAC Traditional name: bis(bismuth(III) oxide); bis(copper(II) oxide); limestone; bis(strontium oxide)
• Synonyms: BSCCO 2212; Bismuth strontium calcium copper oxide; 氧化铋锶钙铜

Database IDs

• CAS Number: 114901-61-0
• MDL Number: MFCD00213932
• PubChem SID: 162245227
• PubChem CID: 71311500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1316
• LogD (pH = 7.4): -0.1316
• Log P: -0.1316
• Molar Refractivity: 4.236 cm^3
• Polarizability: 18.861319 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Density: 6.4 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Particle Size: 5 μm
• Linear Formula: Bi2Sr2CaCu2O8+X(x=0.15-0.20)

DETAILS

Sigma Aldrich - 365106

Packaging
50 g in poly bottle