chempirical

Triisobutylaluminium

C12H27AlCAS 100-99-2198.33 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
Al

Properties

Molecular formula
C12H27Al
Molar mass
198.33 g/mol
Exact mass
198.1928 Da
Density
0.781 g/mL (at 25 °C)
Melting point
0 °C
Boiling point
86 °C (at 10 Torr)
logP
4.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
100-99-2
SMILES
[Al].[CH2]C(C)C.[CH2]C(C)C.[CH2]C(C)C
InChIKey
MCULRUJILOGHCJ-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;

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Names and synonyms

11 names
  • Aluminum, tris(2-methylpropyl)-
  • Aluminum, triisobutyl-
  • Tris(2-methylpropyl)aluminum
  • Triisobutylaluminum
  • Triisobutylalane
  • Tris-iso-butylaluminum
  • Tri-iso-butylaluminum
  • Tris(isobutyl)aluminum
  • Tris(isobutyl)alane
  • TIBAL
  • TIBA

Work with Triisobutylaluminium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisobutylaluminium hydride1191-15-7100 % similar Isobutyllithium920-36-560 % similar Chlorobis(2-methylpropyl)aluminum1779-25-550 % similar Triethylaluminium97-93-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia