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Molecule
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 Mass
- 41.83 g/mol
Identifiers
CAS Registry Number
16962-07-5
SMILES
[Al+3].[BH4-]
InChI Key
ZMBWCDXYAINCNQ-UHFFFAOYSA-N
InChI
InChI=1S/Al.BH4/h;1H4/q+3;-1
Names and Synonyms
- Aluminium Borohydride Common Name
- Borate(1-), tetrahydro-, aluminum (3:1) Synonym
- Borate(1-), tetrahydro-, aluminum Synonym
- Aluminum borohydride Synonym
- Aluminum tetrahydroborate Synonym
- Aluminum hydroborate (Al[BH4]3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 41.83 g/mol | CAS Common Chemistry |
| 42.02104699818 g/mol | RDKit | |
| 41.826 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_borohydride | CAS Common Chemistry |
| Boiling Point | 44.5 °C | CAS Common Chemistry |
| Canonical SMILES | [Al+3].[H-][B+3]([H-])([H-])[H-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.BH4/h;1H4/q+3;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMBWCDXYAINCNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Name | Borate(1-), tetrahydro-, aluminum (3:1) | CAS Common Chemistry |
| Aluminium borohydride | CAS Common Chemistry | |
| Heavy Atom Count | 2 | 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 | -1.8324000000000003 | RDKit |
| -1.8324 | RDKit | |
| Molar Refractivity | 17.087999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 2 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 41.82599999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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
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MW = 41.83 g/mol. Edit any field — others recompute live.
