bis(2-methylpropyl)(2H)alumane

• ChemBase ID: 136423
• Molecular Formular: C8H19Al
• Molecular Mass: 142.217998
• Monoisotopic Mass: 142.13021424
• SMILES: [AlH](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[AlH]CC(C)C)C
• InChI: InChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3
• InChIKey: SIPUZPBQZHNSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylpropyl)(^2H)alumane
• IUPAC Traditional name: bis(2-methylpropyl)(^2H)alumane
• Synonyms: DIBAL-D; Diisobutylaluminum deuteride solution

Database IDs

• MDL Number: MFCD18827467
• PubChem SID: 162230693
• PubChem CID: 10855579

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8228
• LogD (pH = 7.4): 3.8228
• Log P: 3.8228
• Molar Refractivity: 39.485 cm^3
• Polarizability: 17.996649 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 2 °C; 35.6 °F
• Density: 0.851 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 2
• Risk Statements: 63-11-14-19-34-48/20-65-67
• Safety Statements: 16-26-36/37/39-45-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H304-H314-H336-H361d-H373
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.7 M in toluene
• Isotopic Purity: 98 atom % D
• Linear Formula: [(CH3)2CHCH2]2AlD

DETAILS

Sigma Aldrich - 733709

Packaging
100 mL in Sure/Seal™