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Molecule
Lithium Borohydride
CAS: 16949-15-8 · H4BLi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16949-15-8
- Molecular Formula
- H4BLi
- Molecular Mass
- 21.79 g/mol
Identifiers
CAS Registry Number
16949-15-8
SMILES
[BH4-].[Li+]
InChI Key
UUKMSDRCXNLYOO-UHFFFAOYSA-N
InChI
InChI=1S/BH4.Li/h1H4;/q-1;+1
Names and Synonyms
- Lithium Borohydride Common Name
- Borate(1-), tetrahydro-, lithium (1:1) Synonym
- Borate(1-), tetrahydro-, lithium Synonym
- Lithium boron hydride Synonym
- Lithium borohydride (LiBH4) Synonym
- Lithium hydroborate (LiBH4) Synonym
- Lithium borohydride Synonym
- Lithium tetrahydroborate Synonym
- Lithium tetrahydroborate(1-) Synonym
- Lithium tetrahydroborate (LiBH4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 21.79 g/mol | CAS Common Chemistry |
| 22.056610078 g/mol | RDKit | |
| 21.785 g/mol | RDKit | |
| 23.799 g/mol | chempirical lib | |
| 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 |
| -4.4476 | RDKit | |
| Molar Refractivity | 11.333999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 21.785 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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Quick conversion
MW = 21.79 g/mol; density = 0.660 g/mL. Edit any field — others recompute live.
