chempirical

Chlorobis(2-methylpropyl)aluminum

C8H18AlClCAS 1779-25-5176.66 g/mol

Open in Covalent MOL file
Al+Cl−

Properties

Molecular formula
C8H18AlCl
Molar mass
176.66 g/mol
Exact mass
176.0912 Da
Density
0.9118 g/mL (at 25 °C)
Melting point
−40 °C
Boiling point
108 °C (at 0.98 Torr)
logP
-0.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1779-25-5
SMILES
[Al+].[CH2]C(C)C.[CH2]C(C)C.[Cl-]
InChIKey
HQMRIBYCTLBDAK-UHFFFAOYSA-M
InChI
InChI=1S/2C4H9.Al.ClH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Aluminum, chlorobis(2-methylpropyl)-
  • Aluminum, chlorodiisobutyl-
  • Diisobutylaluminum chloride
  • Diisobutylaluminum monochloride
  • Chlorodiisobutylaluminum
  • Diisobutylchloroaluminum
  • Bis(isobutyl)aluminum chloride
  • Diisobutylaluminium chloride

Work with Chlorobis(2-methylpropyl)aluminum

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

Triisobutylaluminium100-99-250 % similar Diisobutylaluminium hydride1191-15-750 % similar Isobutyllithium920-36-550 % similar Diethylaluminium chloride96-10-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook