dibutylstannanebis(ylium) bis(2-ethylhexanoate)

• ChemBase ID: 303849
• Molecular Formular: C24H48O4Sn
• Molecular Mass: 519.33652
• Monoisotopic Mass: 520.25745402
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCC[Sn+2]CCCC
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCC[Sn+2]CCCC
• InChI: InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
• InChIKey: GPDWNEFHGANACG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylstannanebis(ylium) bis(2-ethylhexanoate)
• IUPAC Traditional name: dibutylstannanebis(ylium) bis(2-ethylhexanoate)
• Synonyms: Di-n-butyltin bis(2-ethylhexanoate); 二正丁基二异辛酸锡

Database IDs

• CAS Number: 2781-10-4
• EC Number: 220-481-2
• MDL Number: MFCD00015261

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: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in mineral oil, acetone, xylene
• Apperance: Lump
• Melting Point: 57-59°C
• Boiling Point: 220°C/2mm
• Density: 1.070

Safety Information

• RTECS: WH6714500
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 24/25-51/53-63
• Safety Statements: 36/37-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H310-H361-H411-H401
• GHS Precautionary statements: P280H-P273-P309-P310