antimony(3+) ion tris(butan-1-olate)

• ChemBase ID: 303166
• Molecular Formular: C12H27O3Sb
• Molecular Mass: 341.10098
• Monoisotopic Mass: 340.09983472
• SMILES: CCCC[O-].CCCC[O-].CCCC[O-].[Sb+3]
• Canonical SMILES: [O-]CCCC.[O-]CCCC.[O-]CCCC.[Sb+3]
• InChI: InChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
• InChIKey: YGBFTDQFAKDXBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: antimony(3+) ion tris(butan-1-olate)
• IUPAC Traditional name: antimony(3+) ion tris(butan-1-olate)
• Synonyms: Antimony(III) n-butoxide; 正丁醇锑(III)

Database IDs

• CAS Number: 2155-74-0
• EC Number: 218-456-6
• MDL Number: MFCD00015238

CALCULATED PROPERTIES

• Acid pKa: 16.954258
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.80532193
• LogD (pH = 7.4): 0.80532193
• Log P: 0.80532193
• Molar Refractivity: 32.6852 cm^3
• Polarizability: 8.423538 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in anhydrous butanol; Soluble in anhydrous butanol, THF
• Apperance: Liquid
• Boiling Point: 133-135°C/0.4mm
• Flash Point: >110°C(230°F)
• Density: 1.264

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273

Product Information

• Purity: 99.9% (metals basis), Sb(III) 36.0%; 99+%