niobium(5+) ion pentakis(propan-2-olate)

• ChemBase ID: 303242
• Molecular Formular: C15H35NbO5
• Molecular Mass: 388.34178
• Monoisotopic Mass: 388.15482722
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nb+5]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Nb+5]
• InChI: InChI=1S/5C3H7O.Nb/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;+5
• InChIKey: LZRGWUCHXWALGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion pentakis(propan-2-olate)
• IUPAC Traditional name: niobium(5+) ion pentakis(propan-2-olate)
• Synonyms: Niobium isopropoxide; 异丙醇铌

Database IDs

• CAS Number: 18368-80-4
• MDL Number: MFCD00144915

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 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); Nature polluting (N); X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/38-48/20-62-51/53-65-67
• Safety Statements: 16-26-29-33-36/37-61-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Hazard statements: H225-H304-H361-H373-H315-H319-H336-H411
• GHS Precautionary statements: P210-P280H-P273-P305+P351+P338-P301+P330+P331-P315

Product Information

• Purity: 99% (metals basis)
• Concentration: 10% w/v in isopropanol/hexane (50:50)