aluminium(3+) ion lithium(1+) ion tris(2-methylpropan-2-olate) hydride

• ChemBase ID: 303141
• Molecular Formular: C12H30AlLiO3+
• Molecular Mass: 256.287338
• Monoisotopic Mass: 256.217038
• SMILES: [Li+].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[AlH3+3]
• Canonical SMILES: [O-]C(C)(C)C.[O-]C(C)(C)C.[O-]C(C)(C)C.[Li+].[AlH3+3]
• InChI: InChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;+1
• InChIKey: MJPPNOYSSOKENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion lithium(1+) ion tris(2-methylpropan-2-olate) hydride
• IUPAC Traditional name: aluminium(3+) ion lithium(1+) ion tris(2-methylpropan-2-olate) hydride
• Synonyms: Lithium hydridotris(tert-butoxy)aluminate; Lithium tri-tert-butoxyaluminum hydride; 氢化三叔丁醇铝锂

Database IDs

• CAS Number: 17476-04-9
• EC Number: 241-490-8
• MDL Number: MFCD00011532
• Beilstein Number: 5796791

CALCULATED PROPERTIES

• Acid pKa: 18.086988
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53538257
• LogD (pH = 7.4): 0.53538257
• Log P: 0.53538257
• Molar Refractivity: 32.6172 cm^3
• Polarizability: 8.423538 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: ca 319°C dec.
• Density: 1.03

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: OJ5585000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN1409
• Hazard Class: 4.3
• Packing Group: I
• Risk Statements: 11-14/15-34
• Safety Statements: 26-30-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H228-H261-H314-H318
• GHS Precautionary statements: P210-P280-P305+P351+P338-P310-P370+P378I-P402+P404

Product Information

• Purity: 94%