bis(2-methylpropyl)alumanylium hydride

• ChemBase ID: 302404
• Molecular Formular: C8H19Al+
• Molecular Mass: 142.217998
• Monoisotopic Mass: 142.13021424
• SMILES: CC(C)C[AlH+]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;/q;;+1
• InChIKey: GZSRSTGDHQYODX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylpropyl)alumanylium hydride
• IUPAC Traditional name: bis(2-methylpropyl)alumanylium hydride
• Synonyms: DIBAH; DIBAL-H; Diisobutylaluminum hydride, 1M solution in toluene; Diisobutylaluminum hydride, 1M solution in hexane; Diisobutylaluminum hydride; 二异丁基氢化铝, 1M 甲苯溶液; 二异丁基氢化铝, 1M 己烷溶液; 二异丁基氢化铝, 1M 己烷溶液, 氩气下可重封的ChemSeal™瓶包装; 二异丁基氢化铝, 1M 甲苯溶液, 氩气下可重封的ChemSeal™瓶包装; 二异丁基氢化铝

Database IDs

• CAS Number: 1191-15-7
• EC Number: 214-729-9
• MDL Number: MFCD00008928
• Beilstein Number: 4123663

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1488
• LogD (pH = 7.4): 4.1488
• Log P: 4.1488
• Molar Refractivity: 38.685 cm^3
• Polarizability: 17.626188 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: ca 110°C
• Flash Point: -23°C(-10°F); 4°C(40°F)
• Density: 0.701; 0.805

Safety Information

• Storage Warning: Air & Moisture Sensitive; Moisture Sensitive
• RTECS: BD0710000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: I
• Risk Statements: 11-14-34-48/20-62-51/53-65-67; 11-14-34-48/20-63-65-67; 14-17-20-34
• Safety Statements: 16-25-29-33-43c-45; 26-36/37/39-45-57; 8-9-16-20-23-26-33-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Hazard statements: H224-H260-H304-H361-H373-H314-H318-H336; H224-H260-H304-H361-H373-H314-H318-H336-H411-H401
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 25% w/w in hexane
• Concentration: 1M solution in hexane; 1M solution in toluene
• Packaging: packaged under Argon in resealable ChemSeal? bottles

REFERENCES

• Reduces chiral ɑ-silyloxy esters to the corresponding enantiomerically-pure hydroxy aldehydes: J. Chem. Soc., Chem. Commun., 2475 (1995).