dibutylstannanebis(ylium) didodecanoate

• ChemBase ID: 303850
• Molecular Formular: C32H64O4Sn
• Molecular Mass: 631.54916
• Monoisotopic Mass: 632.38265453
• SMILES: CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC
• Canonical SMILES: CCCC[Sn+2]CCCC.CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-]
• InChI: InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
• InChIKey: UKLDJPRMSDWDSL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylstannanebis(ylium) didodecanoate
• IUPAC Traditional name: dibutylstannanebis(ylium) dilaurate
• Synonyms: Di-n-butyltin didodecanoate; Di-n-butyltin dilaurate; 二正丁基二月桂酸锡

Database IDs

• CAS Number: 77-58-7
• EC Number: 201-039-8
• MDL Number: MFCD00008963
• Merck Index: 143038

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8225026
• LogD (pH = 7.4): 2.0633676
• Log P: 4.478308
• Molar Refractivity: 69.5167 cm^3
• Polarizability: 23.230707 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in benzene and ether. Insoluble in water and methanol
• Apperance: Liquid
• Melting Point: <10°C
• Boiling Point: >204°C/12mm
• Flash Point: 235°C(455°F)
• Density: 1.066
• Refractive Index: 1.4730

Safety Information

• RTECS: WH7000000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 60-61-22-23-34-43-68-50/53
• Safety Statements: 53-23-26-36/37/39-45-57
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H331-H317-H360-H341-H314-H318-H400-H410
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%

REFERENCES

• Accelerator for polyurethane resins.