barium(2+) ion diniobiumoylolate

• ChemBase ID: 139048
• Molecular Formular: BaNb2O6
• Molecular Mass: 419.13616
• Monoisotopic Mass: 419.68749072
• SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Ba+2]
• Canonical SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Ba+2]
• InChI: InChI=1S/Ba.2Nb.6O/q+2;;;;;;;2*-1
• InChIKey: FKKSQMDUUDBSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion diniobiumoylolate
• IUPAC Traditional name: barium(2+) ion diniobiumoylolate
• Synonyms: Barium niobate; Barium niobate; Barium metaniobate; Barium niobium oxide; 铌酸钡

Database IDs

• CAS Number: 12009-14-2
• EC Number: 234-543-1
• MDL Number: MFCD00064751
• PubChem SID: 162233299
• PubChem CID: 6093852

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: 6.8575673 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: -100 Mesh Powder

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1564; UN1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: 99.9% (metals basis)
• Particle Size: -200 mesh
• Linear Formula: Ba(NbO3)2