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Molecule
Potassium Borohydride
CAS: 13762-51-1 · H4BK
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13762-51-1
- Molecular Formula
- H4BK
- Molecular Mass
- 53.942 g/mol
Identifiers
CAS Registry Number
13762-51-1
SMILES
[BH4-].[K+]
InChI Key
ICRGAIPBTSPUEX-UHFFFAOYSA-N
InChI
InChI=1S/BH4.K/h1H4;/q-1;+1
Names and Synonyms
- Potassium Borohydride Synonym
- Borate(1-), tetrahydro-, potassium (1:1) Synonym
- Borate(1-), tetrahydro-, potassium Synonym
- Potassium tetrahydroborate Synonym
- Potassium borohydride Synonym
- Potassium tetrahydroborate(1-) Synonym
- Potassium borohydride (KBH4) Synonym
- Potassium tetrahydroborate (KBH4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [K+].[H-][B+3]([H-])([H-])[H-] | CAS Common Chemistry |
| InChI | InChI=1S/BH4.K/h1H4;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=ICRGAIPBTSPUEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 500 °C (decomp) | CAS Common Chemistry |
| Name | Potassium borohydride | CAS Common Chemistry |
| Molecular Mass | 53.942 g/mol | RDKit |
| 54.004312207999995 g/mol | RDKit | |
| 55.956 g/mol | chempirical lib | |
| 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 | 53.94 g/mol | CAS Common Chemistry |
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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100
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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.
External Resources
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MW = 53.94 g/mol. Edit any field — others recompute live.
