niobium(5+) ion lithium(1+) ion hexamethanolate

• ChemBase ID: 303295
• Molecular Formular: C6H18LiNbO6
• Molecular Mass: 286.0509
• Monoisotopic Mass: 286.03272085
• SMILES: [Li+].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Nb+5]
• Canonical SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Li+].[Nb+5]
• InChI: InChI=1S/6CH3O.Li.Nb/c6*1-2;;/h6*1H3;;/q6*-1;+1;+5
• InChIKey: FIAVMHQTFKKNDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion lithium(1+) ion hexamethanolate
• IUPAC Traditional name: niobium(5+) ion lithium(1+) ion hexakis(methoxide)
• Synonyms: Lithium niobium methoxide; 甲氧基铌锂

Database IDs

• CAS Number: 21864-11-9
• MDL Number: MFCD00210627

CALCULATED PROPERTIES

• Acid pKa: 15.775593
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.51857704
• LogD (pH = 7.4): -0.5185771
• Log P: -0.51857704
• Molar Refractivity: 18.8116 cm^3
• Polarizability: 2.9253356 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN1230
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-23/24/25-36/38-39/23/24/25
• Safety Statements: 16-26-36/37-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Hazard statements: H225-H311-H331-H370-H314
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 99+% (metals basis), 5% w/v in methanol