barium(2+) ion ditantalumoylolate

• ChemBase ID: 303306
• Molecular Formular: BaO6Ta2
• Molecular Mass: 595.2192
• Monoisotopic Mass: 595.77072472
• SMILES: [O-][Ta](=O)=O.[O-][Ta](=O)=O.[Ba+2]
• Canonical SMILES: [O-][Ta](=O)=O.[O-][Ta](=O)=O.[Ba+2]
• InChI: InChI=1S/Ba.6O.2Ta/q+2;;;;;2*-1
• InChIKey: MDRBWDWIZAHEBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion ditantalumoylolate
• IUPAC Traditional name: barium(2+) ion ditantalumoylolate
• Synonyms: Barium tantalum oxide; 钽酸钡

Database IDs

• CAS Number: 12047-34-6
• EC Number: 234-976-6
• MDL Number: MFCD00210601

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5027976
• LogD (pH = 7.4): -3.5028
• Log P: -1.239
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 9.69602 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: -100 Mesh 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% (metals basis)