dibismuth(3+) ion dicalcium dicopper(2+) ion distrontium(2+) ion nonaoxidandiide

• ChemBase ID: 303519
• Molecular Formular: Bi2Ca2Cu2O9Sr2
• Molecular Mass: 944.4434
• Monoisotopic Mass: 943.51062854
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Ca+2].[Cu+2].[Cu+2].[Sr+2].[Sr+2].[Bi+3].[Bi+3]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Ca+2].[Cu+2].[Cu+2].[Sr+2].[Sr+2].[Bi+3].[Bi+3]
• InChI: InChI=1S/2Bi.2Ca.2Cu.9O.2Sr/q2*+3;4*+2;9*-2;2*+2
• InChIKey: OVZNCWRPLIBJAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibismuth(3+) ion dicalcium dicopper(2+) ion distrontium(2+) ion nonaoxidandiide
• IUPAC Traditional name: dibismuth(3+) ion dicalcium dicopper(2+) ion distrontium(2+) ion nonaoxidandiide
• Synonyms: Bismuth strontium calcium copper oxide, (2-2-1-2); 氧化铋锶钙铜,(2-2-1-2)

Database IDs

• CAS Number: 114901-61-0
• MDL Number: MFCD00213932

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Fine Agglomerate

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9% (metals basis)