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Aluminate(3-), Hexafluoro-, Potassium (1:3), (Oc-6-11)-
CAS: 13775-52-5 | AlF6K3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13775-52-5
Molecular Formula:
AlF6K3
Molecular Mass:
258.26 g/mol
Names and Synonyms:
Aluminate(3-), Hexafluoro-, Potassium (1:3), (Oc-6-11)-
Aluminate(3-), hexafluoro-, potassium (1:3), (OC-6-11)-
Aluminate(3-), hexafluoro-, tripotassium
Potassium hexafluoroaluminate
Aluminate(3-), hexafluoro-, tripotassium, (OC-6-11)-
Potassium hexafluoroaluminate (K3[AlF6])
Aluminum potassium fluoride (K3AlF6)
Tripotassium hexafluoroaluminate
Tripotassium hexafluoroaluminate(3-)
Potassium fluoaluminate (K3AlF6)
Potassium aluminum fluoride (K3AlF6)
Potassium fluoroaluminate
Aluminum potassium fluoride (AlK3F6)
Aluminum tripotassium hexafluoride
Potassium hexafluoroaluminate(3-)
Identifiers:
SMILES:
[Al+3].[F-].[F-].[F-].[F-].[F-].[F-].[K+].[K+].[K+]
InChI:
InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
Key Properties
Melting Point
548 °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 | 258.26 g/mol | CAS Common Chemistry |
| 258.26400000000007 g/mol | RDKit | |
| 257.86307799 g/mol | RDKit | |
| Canonical SMILES | [K+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=ZIZQEDPMQXFXTE-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 548 °C | CAS Common Chemistry |
| Name | Aluminate(3-), hexafluoro-, potassium (1:3), (OC-6-11)- | 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 |
