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Molecule
Lanthanum Hexaboride
CAS: 12008-21-8 · B6La
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12008-21-8
- Molecular Formula
- B6La
- Molecular Mass
- 203.78 g/mol
Identifiers
CAS Registry Number
12008-21-8
SMILES
[B].[B].[B].[B].[B].[B].[La]
InChI Key
OHYJFHAQNDIDQW-UHFFFAOYSA-N
InChI
InChI=1S/6B.La
Names and Synonyms
- Lanthanum Hexaboride Common Name
- Lanthanum boride (LaB6), (OC-6-11)- Synonym
- Lanthanum boride (LaB6) Synonym
- Lanthanum hexaboride Synonym
- Lanthanum hexaboride (LaB6) Synonym
- Lanthanum boride Synonym
- LaB6-F Synonym
- KHF 7 Synonym
- Alfa 43100 Synonym
- KHGS 02 Synonym
- KHDS 6 Synonym
- KHF 7AH Synonym
- XT 0804-2-1 Synonym
- HW-B 005 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.78 g/mol | CAS Common Chemistry |
| 203.77800000000002 g/mol | RDKit | |
| 204.96218570000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lanthanum_hexaboride | CAS Common Chemistry |
| Canonical SMILES | B#[La](#B)(#B)(#B)(#B)#B | CAS Common Chemistry |
| InChI | InChI=1S/6B.La | CAS Common Chemistry |
| InChI Key | InChIKey=OHYJFHAQNDIDQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2715 °C | CAS Common Chemistry |
| Name | Lanthanum hexaboride | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -2.2848 | RDKit |
| Molar Refractivity | 34.523999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 203.778 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 203.78 g/mol. Edit any field — others recompute live.
