{[bis(2-methylpropyl)alumanyl]oxy}(2-methylpropyl)alumane

• ChemBase ID: 137813
• Molecular Formular: C12H28Al2O
• Molecular Mass: 242.313196
• Monoisotopic Mass: 242.17709278
• SMILES: CC(C)C[AlH]O[Al](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[AlH]O[Al](CC(C)C)CC(C)C)C
• InChI: InChI=1S/3C4H9.2Al.O/c3*1-4(2)3;;;/h3*4H,1H2,2-3H3
• InChIKey: FYBWMUFAJBADRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[bis(2-methylpropyl)alumanyl]oxy}(2-methylpropyl)alumane
• IUPAC Traditional name: {[bis(2-methylpropyl)alumanyl]oxy}(2-methylpropyl)alumane
• Synonyms: Triisobutyldialuminoxane solution; 三异丁基二铝氧烷 溶液

Database IDs

• CAS Number: 88477-39-8
• MDL Number: MFCD00192536
• PubChem SID: 162232074
• PubChem CID: 16702467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.8596
• LogD (pH = 7.4): 6.8596
• Log P: 6.8596
• Molar Refractivity: 60.6397 cm^3
• Polarizability: 28.534637 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 19 °F; -7 °C
• Density: 0.872 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1993
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25
• Safety Statements: 16-36/37/39-45
• RID/ADR: UN 1993 3/PG 2

Product Information

• Concentration: 10 wt. % in toluene
• Linear Formula: [(CH3)2CHCH2]2AlOAl(H)CH2CH(CH3)2