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Aluminium Borohydride
CAS: 16962-07-5 | H4AlB+2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16962-07-5
Molecular Formula:
H4AlB+2
Molecular Weight:
41.82599999999999 g/mol
Names and Synonyms:
Aluminium Borohydride
Common Name
Aluminum hydroborate (Al[BH4]3)
Synonym
Aluminum tetrahydroborate
Synonym
Aluminum borohydride
Synonym
Borate(1-), tetrahydro-, aluminum
Synonym
Borate(1-), tetrahydro-, aluminum (3:1)
Synonym
Identifiers:
SMILES:
[Al+3].[BH4-]
InChI:
InChI=1S/Al.BH4/h;1H4/q+3;-1
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 | 41.83 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_borohydride None | Legacy Database |
| cas-boiling-point | 44.5 °C None | Legacy Database |
| cas-canonical-smile | [Al+3].[H-][B+3]([H-])([H-])[H-] None | Legacy Database |
| cas-inchi | InChI=1S/Al.BH4/h;1H4/q+3;-1 None | Legacy Database |
| cas-inchi-key | InChIKey=ZMBWCDXYAINCNQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 64.5 °C None | Legacy Database |
| cas-name | Borate(1-), tetrahydro-, aluminum (3:1) None | Legacy Database |
| wikipedia-name | Aluminium borohydride None | Legacy Database |
| LogP | -1.8324000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 41.82599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.02104699818 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 17.087999999999997 | RDKit |