Back to Search

Diisobutylaluminium Hydride

CAS: 1191-15-7 | C8H19Al

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 1191-15-7
Molecular Formula: C8H19Al
Molecular Weight: 142.222 g/mol

Names and Synonyms:

Diisobutylaluminium Hydride
Diisobutylhydrogenaluminum
Bis(isobutyl)aluminum hydride
Diisobutylalane
Di-iso-butylaluminum hydride
DIBAL-H
DIBAH
Bis(iso-butyl)aluminum hydride
Dibal
Bis(isobutyl)hydroaluminum
Diisobutylaluminium hydride
Hydrodiisobutylaluminum
Diisobutylhydroaluminum
Hydrobis(2-methylpropyl)aluminum
Diisobutylaluminum hydride
Aluminum, hydrodiisobutyl-
Aluminum, hydrobis(2-methylpropyl)-

Identifiers:

SMILES:
[Al].[CH2]C(C)C.[CH2]C(C)C.[H]
InChI:
InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 142.22 g/mol Legacy Database
density 0.80 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Diisobutylaluminium_hydride None Legacy Database
cas-boiling-point 105 °C @ Press: 0.2 Torr None Legacy Database
cas-canonical-smile [AlH](CC(C)C)CC(C)C None Legacy Database
cas-density 0.798 g/cm3 None Legacy Database
cas-inchi InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;; None Legacy Database
cas-inchi-key InChIKey=AZWXAPCAJCYGIA-UHFFFAOYSA-N None Legacy Database
cas-melting-point -80 °C None Legacy Database
cas-name Diisobutylaluminum hydride None Legacy Database
wikipedia-name Diisobutylaluminium hydride None Legacy Database
LogP 2.684680000000001 RDKit

Molecular

Property Value Source
Molecular Weight 142.222 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 142.130214238 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 9 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 0 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 0.0 Ų RDKit

Molar

Property Value Source
Molar Refractivity 47.25600000000002 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close