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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.
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 |