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

• ChemBase ID: 303250
• Molecular Formular: C9H24GaO3
• Molecular Mass: 250.00806
• Monoisotopic Mass: 249.09811763
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[GaH3+3]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[GaH3+3]
• InChI: InChI=1S/3C3H7O.Ga/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: RLVZHWWAGSWRBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gallium(3+) ion tris(propan-2-olate)
• IUPAC Traditional name: gallium(3+) ion tris(propan-2-olate)
• Synonyms: Gallium(III) isopropoxide, mixture of oligomers; 异丙醇镓(III), 低聚物的混合体

Database IDs

• CAS Number: 4452-61-3
• MDL Number: MFCD00144389

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
• Melting Point: 72°C
• Boiling Point: dec.
• Flash Point: 68°C(154°F)
• Density: 1.35

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338-P337+P313

Product Information

• Purity: 99%