lithium(1+) ion niobiumoylolate

• ChemBase ID: 128084
• Molecular Formular: LiNbO3
• Molecular Mass: 147.84558
• Monoisotopic Mass: 147.90712641
• SMILES: [Li+].[O-][Nb](=O)=O
• Canonical SMILES: [O-][Nb](=O)=O.[Li+]
• InChI: InChI=1S/Li.Nb.3O/q+1;;;;-1
• InChIKey: GQYHUHYESMUTHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion niobiumoylolate
• IUPAC Traditional name: lithium(1+) ion niobiumoylolate
• Synonyms: Lithium niobate; Lithium niobium oxide; Lithium metaniobatem; Lithium niobium oxide; Lithium niobium trioxide; Lithium niobate; Lithium niobate; Lithium niobium oxide, Puratronic®; 铌酸锂; 铌酸锂, Puratronic®

Database IDs

• CAS Number: 12031-63-9
• EC Number: 234-755-4
• MDL Number: MFCD00011080
• PubChem SID: 24855373; 162222399
• PubChem CID: 159404; 23665650
• Chemspider ID: 10605804
• Wikipedia Title: Lithium_niobate

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: None in water
• Apperance: colorless solid; Crystalline; powder
• Melting Point: 1257 °C; ca 1275°C
• Density: 4.3; 4.65 g/cm^3
• Refractive Index: n_o 2.30, n_e 2.21
• Bandgap: 4 eV

Safety Information

• RTECS: QT9800000
• German water hazard class: 3
• TSCA Listed: 是
• EU Index: Not listed

Product Information

• Purity: 99.9% trace metals basis; 99.99%; 99.998% (metals basis excluding Ta), Ta <50ppm
• Particle Size: 200 mesh
• Linear Formula: LiNbO3

DETAILS

Sigma Aldrich - 254290

Packaging
10 g in poly bottle
Protocols & Applications
Perovskite-phase Metal Oxide Nanostructures: Synthesis, Properties, and Applications