λ2-lead(2+) ion bis(2-ethylhexanoate)

• ChemBase ID: 303269
• Molecular Formular: C16H30O4Pb
• Molecular Mass: 493.607
• Monoisotopic Mass: 494.19106144
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Pb+2]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Pb+2]
• InChI: InChI=1S/2C8H16O2.Pb/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: RUCPTXWJYHGABR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-lead(2+) ion bis(2-ethylhexanoate)
• IUPAC Traditional name: λ^2-lead(2+) ion bis(2-ethylhexanoate)
• Synonyms: 2-Ethylhexanoic acid lead(II) salt; Lead(II) 2-ethylhexanoate; 2-乙基己酸铅(II)

Database IDs

• CAS Number: 301-08-6
• EC Number: 206-107-0
• MDL Number: MFCD00014003

CALCULATED PROPERTIES

• 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
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Viscous Liquid
• Density: 1.56

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 61-62-20/22-33-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H360-H373-H400-H410-H302-H332
• GHS Precautionary statements: P273-P201-P308+P313-P501A