gadolinium(3+) ion trigallium(3+) ion dodecakis(propan-2-olate)

• ChemBase ID: 303249
• Molecular Formular: C36H93Ga3GdO12
• Molecular Mass: 1084.53542
• Monoisotopic Mass: 1082.36752542
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[GaH3+3].[GaH3+3].[GaH3+3].[Gd+3]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[GaH3+3].[GaH3+3].[GaH3+3].[Gd+3]
• InChI: InChI=1S/12C3H7O.3Ga.Gd/c12*1-3(2)4;;;;/h12*3H,1-2H3;;;;/q12*-1;4*+3
• InChIKey: PWSNJPSGLAOMAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion trigallium(3+) ion dodecakis(propan-2-olate)
• IUPAC Traditional name: gadolinium(3+) ion trigallium(3+) ion dodecakis(propan-2-olate)
• Synonyms: Gadolinium gallium isopropoxide; 异丙醇镓钆

Database IDs

• CAS Number: 51062-97-6
• MDL Number: MFCD00144380

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: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 82°C
• Flash Point: 12°C(54°F)
• Density: 0.85

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1219
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/38-67
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H336
• GHS Precautionary statements: P210-P280G-P305+P351+P338

Product Information

• Purity: 99.9% (metals basis), 25% w/v in isopropanol