titanium(4+) ion λ2-lead(2+) ion hexakis(propan-2-olate)

• ChemBase ID: 303294
• Molecular Formular: C18H42O6PbTi
• Molecular Mass: 609.58948
• Monoisotopic Mass: 610.22273736
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].[Pb+2]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Ti+4].[Pb+2]
• InChI: InChI=1S/6C3H7O.Pb.Ti/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+2;+4
• InChIKey: OTCGQPNWZVYCIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion λ^2-lead(2+) ion hexakis(propan-2-olate)
• IUPAC Traditional name: titanium(4+) ion λ^2-lead(2+) ion hexakis(propan-2-olate)
• Synonyms: Lead(II) titanium(IV) isopropoxide; 异丙醇钛(IV)铅(II)

Database IDs

• MDL Number: MFCD00210621

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: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: UN1219
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 61-11-20/22-33-51/53-67
• Safety Statements: 53-16-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Hazard statements: H225-H360-H373-H302-H332-H336-H411-H401
• GHS Precautionary statements: P210-P273-P201-P308+P313

Product Information

• Purity: 99.9% (metals basis),