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

• ChemBase ID: 303570
• Molecular Formular: C15H33BiO3
• Molecular Mass: 470.40112
• Monoisotopic Mass: 470.22336792
• SMILES: CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].[Bi+3]
• Canonical SMILES: CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].[Bi+3]
• InChI: InChI=1S/3C5H11O.Bi/c3*1-4-5(2,3)6;/h3*4H2,1-3H3;/q3*-1;+3
• InChIKey: DRFVTYUXJVLNLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion tris(2-methylbutan-2-olate)
• IUPAC Traditional name: bismuth(3+) ion tris(2-methylbutan-2-olate)
• Synonyms: Bismuth(III) tert-amylate; Bismuth(III) tert-pentoxide; Bismuth(III) tert-pentyloxide; 叔戊醇铋(III)

Database IDs

• CAS Number: 124687-44-1
• MDL Number: MFCD00151666

CALCULATED PROPERTIES

• Acid pKa: 18.535208
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.057905
• LogD (pH = 7.4): 1.057905
• Log P: 1.057905
• Molar Refractivity: 37.1412 cm^3
• Polarizability: 10.265616 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 180°C dec.
• Boiling Point: -^4mm subl.; 63°C/10

Safety Information

• 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

Product Information

• Purity: 97+%