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Molecule
Lithium Borate
CAS: 12007-60-2 · BLiO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12007-60-2
- Molecular Formula
- BLiO
- Molecular Mass
- 33.752 g/mol
Identifiers
CAS Registry Number
12007-60-2
SMILES
[B].[Li].[O]
InChI Key
ZIPRQVBRGSUNDL-UHFFFAOYSA-N
InChI
InChI=1S/B.Li.O
Names and Synonyms
- Lithium Borate Common Name
- Boron lithium oxide (B4Li2O7) Synonym
- Boric acid (H2B4O7), dilithium salt Synonym
- Lithium tetraborate (Li2B4O7) Synonym
- Lithium borate (Li2B4O7) Synonym
- Lithium boron oxide (Li2B4O7) Synonym
- Dilithium tetraborate Synonym
- Lithium borate Synonym
- Lithium tetraborate Synonym
- Dilithium tetraborate (Li2B4O7) Synonym
- Li2B4O7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_borate | CAS Common Chemistry |
| Canonical SMILES | [Li].[B].[O] | CAS Common Chemistry |
| InChI | InChI=1S/B.Li.O | CAS Common Chemistry |
| InChI Key | InChIKey=ZIPRQVBRGSUNDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Boron lithium oxide (B4Li2O7) | CAS Common Chemistry |
| Molecular Mass | 33.752 g/mol | RDKit |
| 34.020224569999996 g/mol | RDKit | |
| 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 | 28.5 Ų | RDKit |
| LogP | -0.8804000000000001 | RDKit |
| -0.8804 | RDKit | |
| Molar Refractivity | 12.1945 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 33.75 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 33.75 g/mol. Edit any field — others recompute live.
