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Beryllium Borohydride
CAS: 17440-85-6 | H8B2Be
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17440-85-6
Molecular Formula:
H8B2Be
Molecular Weight:
38.7 g/mol
Names and Synonyms:
Beryllium Borohydride
Synonym
Beryllium, bis[tetrahydroborato(1-)-κH,κH′]-, (T-4)-
Synonym
Beryllium, bis[tetrahydroborato(1-)]-
Synonym
Beryllium borohydride
Synonym
Beryllium tetrahydroborate
Synonym
Borate(1-), tetrahydro-, beryllium complex
Synonym
(T-4)-Bis[tetrahydroborato(1-)-κH,κH′]beryllium
Synonym
Beryllium borohydride (Be(BH4)2)
Synonym
Beryllium borohydride (BeB2H8)
Synonym
Identifiers:
SMILES:
[BH4-].[BH4-].[Be+2]
InChI:
InChI=1S/2BH4.Be/h2*1H4;/q2*-1;+2
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 | 38.70 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Beryllium_borohydride None | Legacy Database |
| cas-canonical-smile | [H-][B+3]1([H-])[H-][Be+2]2([H-]1)[H-][B+3]([H-])([H-])[H-]2 None | Legacy Database |
| cas-inchi | InChI=1S/2BH4.Be/h2*1H4;/q2*-1;+2 None | Legacy Database |
| cas-inchi-key | InChIKey=ONQXRAXVSQRPSX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Beryllium borohydride None | Legacy Database |
| wikipedia-name | Beryllium borohydride None | Legacy Database |
| LogP | -3.2840000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 38.7 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 39.093393256 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 28.421999999999997 | RDKit |