zirconium(4+) ion λ2-lead(2+) ion bis(2-ethylhexanoate) tetrakis(propan-2-olate)

• ChemBase ID: 303245
• Molecular Formular: C28H58O8PbZr
• Molecular Mass: 821.17932
• Monoisotopic Mass: 820.29452482
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4].[Pb+2]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Zr+4].[Pb+2]
• InChI: InChI=1S/2C8H16O2.4C3H7O.Pb.Zr/c2*1-3-5-6-7(4-2)8(9)10;4*1-3(2)4;;/h2*7H,3-6H2,1-2H3,(H,9,10);4*3H,1-2H3;;/q;;4*-1;+2;+4/p-2
• InChIKey: AONRJTJVOSWDMK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion λ^2-lead(2+) ion bis(2-ethylhexanoate) tetrakis(propan-2-olate)
• IUPAC Traditional name: zirconium(4+) ion λ^2-lead(2+) ion bis(2-ethylhexanoate) tetrakis(propan-2-olate)
• Synonyms: Lead zirconium 2-ethylhexano-isopropoxide; Lead(II) zirconium(IV) 2-ethylhexanoate tetraisopropoxide; 2-乙基己酸四异丙醇锆(IV)铅(II)

Database IDs

• MDL Number: MFCD00171337

CALCULATED PROPERTIES

• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false
• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: UN1208
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 61-62-11-20/22-33-48/20-51/53
• Safety Statements: 53-16-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Hazard statements: H225-H360-H373-H302-H332-H411
• GHS Precautionary statements: P210-P273-P201-P308+P313

Product Information

• Purity: 99% (metals basis), 10% w/v in hexane