lanthanum(3+) ion tris(tetrakis(propan-2-yloxy)alumanuide)

• ChemBase ID: 303577
• Molecular Formular: C36H84Al3LaO12
• Molecular Mass: 928.895074
• Monoisotopic Mass: 928.44724702
• SMILES: [Al-](OC(C)C)(OC(C)C)(OC(C)C)OC(C)C.[Al-](OC(C)C)(OC(C)C)(OC(C)C)OC(C)C.[Al-](OC(C)C)(OC(C)C)(OC(C)C)OC(C)C.[La+3]
• Canonical SMILES: CC(O[Al-](OC(C)C)(OC(C)C)OC(C)C)C.CC(O[Al-](OC(C)C)(OC(C)C)OC(C)C)C.CC(O[Al-](OC(C)C)(OC(C)C)OC(C)C)C.[La+3]
• InChI: InChI=1S/12C3H7O.3Al.La/c12*1-3(2)4;;;;/h12*3H,1-2H3;;;;/q12*-1;4*+3
• InChIKey: XCXSFLXKTWHKER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion tris(tetrakis(propan-2-yloxy)alumanuide)
• IUPAC Traditional name: lanthanum(3+) ion tris(tetraisopropoxyalumanuide)
• Synonyms: Lanthanum aluminum isopropoxide; Aluminum lanthanum isopropoxide; 异丙氧基镧铝, 99%(metals basis)

Database IDs

• CAS Number: 33939-97-8
• MDL Number: MFCD00143591

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2392
• LogD (pH = 7.4): 5.2392
• Log P: 5.2392
• Molar Refractivity: 64.8572 cm^3
• Polarizability: 28.485172 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 208°C/0.5mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1219
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/38-67
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H336
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99% (metals basis), 7% w/v in isopropanol