triphenylalumane

• ChemBase ID: 143328
• Molecular Formular: C18H15Al
• Molecular Mass: 258.293238
• Monoisotopic Mass: 258.09891411
• SMILES: c1ccc(cc1)[Al](c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Al](c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.Al/c3*1-2-4-6-5-3-1;/h3*1-5H
• InChIKey: JQPMDTQDAXRDGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylalumane
• IUPAC Traditional name: triphenylalumane
• Synonyms: Triphenylaluminum solution; 三苯基铝 溶液

Database IDs

• MDL Number: MFCD00046031
• PubChem SID: 162237549
• PubChem CID: 16684219

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6066
• LogD (pH = 7.4): 4.6066
• Log P: 4.6066
• Molar Refractivity: 76.4229 cm^3
• Polarizability: 32.160267 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 17 °C; 62.6 °F
• Density: 0.868 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• Risk Statements: 11-14/15-17-34-37-52/53
• Safety Statements: 16-26-36/37/39-43-45-61
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335-H412
• GHS Precautionary statements: P210-P231 + P232-P261-P273-P280-P422

Product Information

• Concentration: 1 M in dibutyl ether
• Empirical Formula (Hill Notation): C18H15Al

DETAILS

Sigma Aldrich - 730572

Packaging
50 mL in Sure/Seal™