Back to Search
Sodium Hexafluoroaluminate
CAS: 13775-53-6 | AlF6Na3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13775-53-6
Molecular Formula:
AlF6Na3
Molecular Mass:
209.94 g/mol
Names and Synonyms:
Sodium Hexafluoroaluminate
Aluminate(3-), hexafluoro-, sodium (1:3), (OC-6-11)-
Aluminate(3-), hexafluoro-, trisodium
Aluminate(3-), hexafluoro-, trisodium, (OC-6-11)-
Sodium hexafluoroaluminate (Na3AlF6)
Trisodium aluminum hexafluoride
Trisodium hexafluoroaluminate
Sodium fluoroaluminate (Na3AlF6)
Aluminum sodium fluoride (Na3AlF6)
Sodium fluoaluminate(3-)
Sodium aluminum hexafluoride
Aluminum trisodium hexafluoride
Aluminum sodium hexafluoride (AlNa3F6)
Sodium hexafluoroaluminate(3-)
Identifiers:
SMILES:
[Al+3].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+]
InChI:
InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
Key Properties
Melting Point
1008 °C
CAS Common Chemistry
Density
2.95 g/cm³
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 | 209.94 g/mol | CAS Common Chemistry |
| 209.94000000000005 g/mol | RDKit | |
| 209.94126578999996 g/mol | RDKit | |
| Density | 2.95 g/cm³ | CAS Common Chemistry |
| 2.95 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_hexafluoroaluminate | CAS Common Chemistry |
| Canonical SMILES | [Na+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=REHXRBDMVPYGJX-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 1008 °C | CAS Common Chemistry |
| Name | Trisodium hexafluoroaluminate | CAS Common Chemistry |
| Sodium hexafluoroaluminate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | -27.344799999999996 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
