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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 Mass:
21.79 g/mol
Names and Synonyms:
Lithium Borohydride
Borate(1-), tetrahydro-, lithium (1:1)
Borate(1-), tetrahydro-, lithium
Lithium boron hydride
Lithium borohydride (LiBH4)
Lithium hydroborate (LiBH4)
Lithium borohydride
Lithium tetrahydroborate
Lithium tetrahydroborate(1-)
Lithium tetrahydroborate (LiBH4)
Identifiers:
SMILES:
[BH4-].[Li+]
InChI:
InChI=1S/BH4.Li/h1H4;/q-1;+1
Key Properties
Melting Point
278-279 °C
CAS Common Chemistry
Density
0.66 g/cm³
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 | 21.79 g/mol | CAS Common Chemistry |
| 21.785 g/mol | RDKit | |
| 22.056610078 g/mol | RDKit | |
| Density | 0.66 g/cm³ | CAS Common Chemistry |
| 0.66 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_borohydride | CAS Common Chemistry |
| Canonical SMILES | [Li+].[H-][B+3]([H-])([H-])[H-] | CAS Common Chemistry |
| InChI | InChI=1S/BH4.Li/h1H4;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=UUKMSDRCXNLYOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 278-279 °C | CAS Common Chemistry |
| Name | Lithium 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 | -4.4475999999999996 | RDKit |
| Molar Refractivity | 11.333999999999998 | RDKit |
