fluorobis(2-methylpropyl)alumane

• ChemBase ID: 137151
• Molecular Formular: C8H18AlF
• Molecular Mass: 160.2084612
• Monoisotopic Mass: 160.12079243
• SMILES: CC(C)C[Al](CC(C)C)F
• Canonical SMILES: CC(C[Al](CC(C)C)F)C
• InChI: InChI=1S/2C4H9.Al.FH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1
• InChIKey: SJBIACKVFNCVOM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorobis(2-methylpropyl)alumane
• IUPAC Traditional name: fluorobis(2-methylpropyl)alumane
• Synonyms: Diisobutylaluminum fluoride solution; 二异丁基氟化铝 溶液

Database IDs

• CAS Number: 675-15-0
• MDL Number: MFCD00192052
• PubChem SID: 24866129; 162231416
• PubChem CID: 69604

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6021
• LogD (pH = 7.4): 4.6021
• Log P: 4.6021
• Molar Refractivity: 40.4943 cm^3
• Polarizability: 17.641888 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68-70 °C
• Flash Point: -20 °C; -4 °F
• Density: 0.709 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3393
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14-17-20/21/22-34
• Safety Statements: 16-26-27-36/37/39-45
• RID/ADR: UN 3393 4.2/PG 1

Product Information

• Concentration: 1.0 M in hexanes
• Linear Formula: [(CH3)2CHCH2]2AlF

DETAILS

Sigma Aldrich - 417173

Packaging
50, 100 mL in Sure/Seal™