antimony(3+) ion tris(propan-2-olate)

• ChemBase ID: 303253
• Molecular Formular: C9H21O3Sb
• Molecular Mass: 299.02124
• Monoisotopic Mass: 298.05288453
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Sb+3]
• InChI: InChI=1S/3C3H7O.Sb/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: HYPTXUAFIRUIRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: antimony(3+) ion tris(propan-2-olate)
• IUPAC Traditional name: antimony(3+) ion tris(propan-2-olate)
• Synonyms: Antimony(III) isopropoxide; 异丙氧基锑(III)

Database IDs

• CAS Number: 18770-47-3
• EC Number: 242-561-6
• MDL Number: MFCD00143623

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 68°C/3mm
• Flash Point: 77°C(141°F)
• Density: 1.31

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: 否
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H302-H332-H227-H411
• GHS Precautionary statements: P210-P261-P280-P304+P340-P403+P235-P501A

Product Information

• Purity: 99.9% (metals basis)