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Ammonium Hexafluoroaluminate
CAS: 7784-19-2 | H12AlF6N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7784-19-2
Molecular Formula:
H12AlF6N3
Molecular Mass:
195.09 g/mol
Names and Synonyms:
Ammonium Hexafluoroaluminate
Aluminate(3-), hexafluoro-, ammonium (1:3), (OC-6-11)-
Aluminate(3-), hexafluoro-, triammonium
Aluminate(3-), hexafluoro-, triammonium, (OC-6-11)-
Ammonium hexafluoroaluminate
Ammonium aluminum fluoride
Triammonium hexafluoroaluminate
Ammonium hexafluoroaluminate ((NH4)3AlF6)
Triammonium hexafluoroaluminate(3-)
Aluminum ammonium fluoride (Al(NH4)3F6)
Triammonium aluminum hexafluoride
NSC 310006
Identifiers:
SMILES:
F.F.F.N.N.N.[Al+3].[F-].[F-].[F-]
InChI:
InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3
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 | 195.09 g/mol | CAS Common Chemistry |
| 195.087 g/mol | RDKit | |
| 195.075080334 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_hexafluoroaluminate | CAS Common Chemistry |
| Canonical SMILES | [F-][Al+3]([F-])([F-])([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=OYHBNKHFKHBTRQ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Aluminate(3-), hexafluoro-, ammonium (1:3), (OC-6-11)- | CAS Common Chemistry |
| Ammonium hexafluoroaluminate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.0 Ų | RDKit |
| LogP | -8.4253 | RDKit |
| Molar Refractivity | 28.329300000000014 | RDKit |
