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Lithium Borohydride
CAS: 16949-15-8 | H4BLi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16949-15-8
Molecular Formula:
H4BLi
Molecular Weight:
21.785 g/mol
Names and Synonyms:
Lithium Borohydride
Common Name
Lithium tetrahydroborate (LiBH4)
Synonym
Lithium tetrahydroborate(1-)
Synonym
Lithium tetrahydroborate
Synonym
Lithium borohydride
Synonym
Lithium hydroborate (LiBH4)
Synonym
Lithium borohydride (LiBH4)
Synonym
Lithium boron hydride
Synonym
Borate(1-), tetrahydro-, lithium
Synonym
Borate(1-), tetrahydro-, lithium (1:1)
Synonym
Identifiers:
SMILES:
[BH4-].[Li+]
InChI:
InChI=1S/BH4.Li/h1H4;/q-1;+1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 21.785 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 22.056610078 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -4.4475999999999996 | RDKit |
| molecular_mass | 21.79 g/mol | Legacy Database |
| density | 0.66 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_borohydride None | Legacy Database |
| cas-canonical-smile | [Li+].[H-][B+3]([H-])([H-])[H-] None | Legacy Database |
| cas-density | 0.66 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/BH4.Li/h1H4;/q-1;+1 None | Legacy Database |
| cas-inchi-key | InChIKey=UUKMSDRCXNLYOO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 278-279 °C None | Legacy Database |
| cas-name | Lithium borohydride None | Legacy Database |
| wikipedia-name | Lithium borohydride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.333999999999998 | RDKit |