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

• ChemBase ID: 303744
• Molecular Formular: C9H21BiO3
• Molecular Mass: 386.24164
• Monoisotopic Mass: 386.12946753
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Bi+3]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Bi+3]
• InChI: InChI=1S/3C3H7O.Bi/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: KNPRLIQQQKEOJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion tris(propan-2-olate)
• IUPAC Traditional name: bismuth(3+) ion tris(propan-2-olate)
• Synonyms: Bismuth(III) isopropoxide; 异丙醇铋(III)

Database IDs

• CAS Number: 15049-67-9
• MDL Number: MFCD00799065

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: Powder, Packaged under argon

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P280G-P305+P351+P338-P337+P313