trioctylalumane

• ChemBase ID: 149187
• Molecular Formular: C24H51Al
• Molecular Mass: 366.643278
• Monoisotopic Mass: 366.38061526
• SMILES: CCCCCCCC[Al](CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCC[Al](CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3
• InChIKey: LFXVBWRMVZPLFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioctylalumane
• IUPAC Traditional name: tri-n-octylaluminium
• Synonyms: Trioctylaluminum solution; 三辛基铝 溶液

Database IDs

• CAS Number: 1070-00-4
• MDL Number: MFCD00040497
• PubChem SID: 162243355; 24864100
• PubChem CID: 16682948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.2343
• LogD (pH = 7.4): 10.2343
• Log P: 10.2343
• Molar Refractivity: 113.6277 cm^3
• Polarizability: 47.54743 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: -21 °C; -5.8 °F
• Density: 0.701 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 2924
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14/15-35-48/20-51/53-62-65-67
• Safety Statements: 26-36/37/39-43-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H304-H314-H336-H361f-H373-H411
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Concentration: 25 wt. % in hexanes
• Linear Formula: [CH3(CH2)7]3Al

DETAILS

Sigma Aldrich - 386553

Packaging
100, 500 mL in Sure/Seal™