{[(acetyloxy)dibutylstannyl]oxy}dibutylstannyl acetate

• ChemBase ID: 150498
• Molecular Formular: C20H42O5Sn2
• Molecular Mass: 599.94648
• Monoisotopic Mass: 602.10761244
• SMILES: CCCC[Sn](CCCC)(OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C
• Canonical SMILES: CCCC[Sn](O[Sn](OC(=O)C)(CCCC)CCCC)(OC(=O)C)CCCC
• InChI: InChI=1S/4C4H9.2C2H4O2.O.2Sn/c4*1-3-4-2;2*1-2(3)4;;;/h4*1,3-4H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2
• InChIKey: JLHADLTXDDGZFX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(acetyloxy)dibutylstannyl]oxy}dibutylstannyl acetate
• IUPAC Traditional name: {[(acetyloxy)dibutylstannyl]oxy}dibutylstannyl acetate
• Synonyms: 1,3-Bis(acetyloxy)-1,1,3,3-tetrabutyldistannoxane; 1,3-Diacetoxy-1,1,3,3-tetrabutyldistannoxane; 1,3-双(乙酰氧基)-1,1,3,3-四丁基二锡氧烷; 1,3-二(乙酰基氧基)-1,1,3,3-四丁基二锡氧烷

Database IDs

• CAS Number: 5967-09-9
• EC Number: 227-755-0
• MDL Number: MFCD00008696
• PubChem SID: 24850564; 162244659
• PubChem CID: 16682981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5526
• LogD (pH = 7.4): 1.5526
• Log P: 1.5526
• Molar Refractivity: 103.7276 cm^3
• Polarizability: 50.904053 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 56-58 °C(lit.)

Safety Information

• RTECS: JN8740000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: {CH3CO2Sn[(CH2)3CH3]2}2O

DETAILS

Sigma Aldrich - 176214

Packaging
25 g in glass bottle