niobium(5+) ion pentabenzenolate

• ChemBase ID: 112414
• Molecular Formular: C30H25NbO5
• Molecular Mass: 558.42288
• Monoisotopic Mass: 558.0765769
• SMILES: [Nb+5].[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1
• Canonical SMILES: [O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[Nb+5]
• InChI: InChI=1S/5C6H6O.Nb/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5
• InChIKey: ZCNDFHXTXLMYDM-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion pentabenzenolate
• IUPAC Traditional name: niobium(5+) ion pentaphenolate
• Synonyms: COLUMBIUM PENTAPHENOXIDE; Niobium phenoxide; 苯酚铌

Database IDs

• CAS Number: 16576-63-9
• MDL Number: MFCD00014076
• PubChem SID: 162097461
• PubChem CID: 25021451

CALCULATED PROPERTIES

• Acid pKa: 10.01615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6696674
• LogD (pH = 7.4): 1.6686368
• Log P: 1.6696805
• Molar Refractivity: 38.5892 cm^3
• Polarizability: 10.672626 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 208°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

DETAILS

MP Biomedicals - 05223797

MP Biomedicals Rare Chemical collection