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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 Mass:
41.83 g/mol
Names and Synonyms:
Aluminium Borohydride
Borate(1-), tetrahydro-, aluminum (3:1)
Borate(1-), tetrahydro-, aluminum
Aluminum borohydride
Aluminum tetrahydroborate
Aluminum hydroborate (Al[BH4]3)
Identifiers:
SMILES:
[Al+3].[BH4-]
InChI:
InChI=1S/Al.BH4/h;1H4/q+3;-1
Key Properties
Boiling Point
44.5 °C
CAS Common Chemistry
Melting Point
64.5 °C
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 | 41.83 g/mol | CAS Common Chemistry |
| 41.82599999999999 g/mol | RDKit | |
| 42.02104699818 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 |
| Molar Refractivity | 17.087999999999997 | RDKit |
