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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 Weight:
33.752 g/mol
Names and Synonyms:
Lithium Borate
Common Name
Li2B4O7
Synonym
Dilithium tetraborate (Li2B4O7)
Synonym
Lithium tetraborate
Synonym
Lithium borate
Synonym
Dilithium tetraborate
Synonym
Lithium boron oxide (Li2B4O7)
Synonym
Lithium borate (Li2B4O7)
Synonym
Lithium tetraborate (Li2B4O7)
Synonym
Boric acid (H2B4O7), dilithium salt
Synonym
Boron lithium oxide (B4Li2O7)
Synonym
Identifiers:
SMILES:
[B].[Li].[O]
InChI:
InChI=1S/B.Li.O
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 33.752 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 34.020224569999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 28.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8804000000000001 | RDKit |
| molecular_mass | 33.75 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_borate None | Legacy Database |
| cas-canonical-smile | [Li].[B].[O] None | Legacy Database |
| cas-inchi | InChI=1S/B.Li.O None | Legacy Database |
| cas-inchi-key | InChIKey=ZIPRQVBRGSUNDL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Boron lithium oxide (B4Li2O7) None | Legacy Database |
| wikipedia-name | Lithium borate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.1945 | RDKit |