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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 Mass:
142.22 g/mol
Names and Synonyms:
Diisobutylaluminium Hydride
Aluminum, hydrobis(2-methylpropyl)-
Aluminum, hydrodiisobutyl-
Diisobutylaluminum hydride
Hydrobis(2-methylpropyl)aluminum
Diisobutylhydroaluminum
Hydrodiisobutylaluminum
Diisobutylaluminium hydride
Bis(isobutyl)hydroaluminum
Dibal
Bis(iso-butyl)aluminum hydride
DIBAH
DIBAL-H
Di-iso-butylaluminum hydride
Diisobutylalane
Bis(isobutyl)aluminum hydride
Diisobutylhydrogenaluminum
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;;
Key Properties
Boiling Point
105 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
-80 °C
CAS Common Chemistry
Density
0.80 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.22 g/mol | CAS Common Chemistry |
| 142.222 g/mol | RDKit | |
| 142.130214238 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.798 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisobutylaluminium_hydride | CAS Common Chemistry |
| Boiling Point | 105 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | [AlH](CC(C)C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=AZWXAPCAJCYGIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | Diisobutylaluminum hydride | CAS Common Chemistry |
| Diisobutylaluminium hydride | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.684680000000001 | RDKit |
| Molar Refractivity | 47.25600000000002 | RDKit |
