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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 Mass:
38.70 g/mol
Names and Synonyms:
Beryllium Borohydride
Beryllium, bis[tetrahydroborato(1-)-κH,κH′]-, (T-4)-
Beryllium, bis[tetrahydroborato(1-)]-
Beryllium borohydride
Beryllium tetrahydroborate
Borate(1-), tetrahydro-, beryllium complex
(T-4)-Bis[tetrahydroborato(1-)-κH,κH′]beryllium
Beryllium borohydride (Be(BH4)2)
Beryllium borohydride (BeB2H8)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 38.70 g/mol | CAS Common Chemistry |
| 38.7 g/mol | RDKit | |
| 39.093393256 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Beryllium_borohydride | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]1([H-])[H-][Be+2]2([H-]1)[H-][B+3]([H-])([H-])[H-]2 | CAS Common Chemistry |
| InChI | InChI=1S/2BH4.Be/h2*1H4;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=ONQXRAXVSQRPSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Beryllium borohydride | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -3.2840000000000003 | RDKit |
| Molar Refractivity | 28.421999999999997 | RDKit |
