tributylstannylium acetate

• ChemBase ID: 295394
• Molecular Formular: C14H30O2Sn
• Molecular Mass: 349.0878
• Monoisotopic Mass: 350.1267742
• SMILES: CCCC[Sn+](CCCC)CCCC.CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.CCCC[Sn+](CCCC)CCCC
• InChI: InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: PWBHRVGYSMBMIO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylstannylium acetate
• IUPAC Traditional name: tributylstannylium acetate
• Synonyms: Acetoxy(tri-n-butyl)tin; Tri-n-butyltin acetate; 三正丁基乙酸锡

Database IDs

• CAS Number: 56-36-0
• EC Number: 200-269-6
• MDL Number: MFCD00015228
• PubChem SID: 180680925
• PubChem CID: 46871717

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5287
• LogD (pH = 7.4): 3.5287
• Log P: 3.5287
• Molar Refractivity: 58.4157 cm^3
• Polarizability: 27.806976 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-87°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%