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Lanthanum Hexaboride
CAS: 12008-21-8 | B6La
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12008-21-8
Molecular Formula:
B6La
Molecular Mass:
203.78 g/mol
Names and Synonyms:
Lanthanum Hexaboride
Lanthanum boride (LaB6), (OC-6-11)-
Lanthanum boride (LaB6)
Lanthanum hexaboride
Lanthanum hexaboride (LaB6)
Lanthanum boride
LaB6-F
KHF 7
Alfa 43100
KHGS 02
KHDS 6
KHF 7AH
XT 0804-2-1
HW-B 005
Identifiers:
SMILES:
[B].[B].[B].[B].[B].[B].[La]
InChI:
InChI=1S/6B.La
Key Properties
Melting Point
2715 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
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 | RDKit |
