pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide

• ChemBase ID: 302735
• Molecular Formular: Ba2NaNb5O15
• Molecular Mass: 1002.16667
• Monoisotopic Mass: 1003.25587258
• 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].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Ba+2].[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].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
• InChI: InChI=1S/2Ba.Na.5Nb.15O/q2*+2;+1;5*+5;15*-2
• InChIKey: SEQQXXCCTTVCHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide
• IUPAC Traditional name: pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide
• Synonyms: Barium sodium niobium oxide, Puratronic®; 氧化钡钠铌, Puratronic®

Database IDs

• CAS Number: 12323-03-4
• EC Number: 235-586-9
• MDL Number: MFCD00064627

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: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99.999% (metals basis)