dialuminium(3+) ion nickel(2+) ion octakis(propan-2-olate)

• ChemBase ID: 303254
• Molecular Formular: C24H62Al2NiO8
• Molecular Mass: 591.400756
• Monoisotopic Mass: 590.3428891
• 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-].[AlH3+3].[AlH3+3].[Ni+2]
• 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.[AlH3+3].[AlH3+3].[Ni+2]
• InChI: InChI=1S/8C3H7O.2Al.Ni/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2
• InChIKey: DFBQPYVLHQUYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion nickel(2+) ion octakis(propan-2-olate)
• IUPAC Traditional name: dialuminium(3+) ion nickel(2+) ion octakis(propan-2-olate)
• Synonyms: Nickel aluminum isopropoxide; Aluminum nickel isopropoxide; Aluminum nickel isopropoxide; 异丙氧基镍铝

Database IDs

• CAS Number: 70504-57-3
• MDL Number: MFCD00143593

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; Powder
• Boiling Point: 120°C/0.6mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN1219; UN3181
• Hazard Class: 3; 4.1
• Packing Group: II; III
• Risk Statements: 11-36/37/38-40-43; 11-36/38-40-43-67
• Safety Statements: 16-24-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H225-H351-H315-H319-H317-H336; H228-H351-H315-H319-H317-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99.9% (m.b.); 99.9% (metals basis); 99.9% (metals basis), 10% w/v in isopropanol
• Concentration: 10% w/v in isopropanol
• Packaging: packaged under Ar in resealable ChemSeal? bottles