tetraniobium(5+) ion barium(2+) ion strontium(2+) ion dodecaoxidandiide

• ChemBase ID: 303916
• Molecular Formular: BaNb4O12Sr
• Molecular Mass: 788.56532
• Monoisotopic Mass: 789.37534644
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Ba+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Ba+2]
• InChI: InChI=1S/Ba.4Nb.12O.Sr/q+2;4*+5;12*-2;+2
• InChIKey: YCURJPDLXWMFLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraniobium(5+) ion barium(2+) ion strontium(2+) ion dodecaoxidandiide
• IUPAC Traditional name: tetraniobium(5+) ion barium(2+) ion strontium(2+) ion dodecaoxidandiide
• Synonyms: Barium strontium niobium oxide, Puratronic®; 氧化钡锶铌, Puratronic®

Database IDs

• CAS Number: 37185-09-4
• EC Number: 253-383-3
• MDL Number: MFCD00064628

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: Powder

Safety Information

• European Hazard Symbols: X
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99.997% (metals basis)