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Ammonium Hexafluorozirconate
CAS: 16919-31-6 | H8F6N2Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16919-31-6
Molecular Formula:
H8F6N2Zr
Molecular Mass:
241.29 g/mol
Names and Synonyms:
Ammonium Hexafluorozirconate
Zirconate(2-), hexafluoro-, ammonium (1:2), (OC-6-11)-
Zirconate(2-), hexafluoro-, diammonium
Zirconate(2-), hexafluoro-, diammonium, (OC-6-11)-
Ammonium hexafluorozirconate(IV)
Ammonium fluozirconate(IV) ((NH4)2ZrF6)
Diammonium hexafluorozirconate(2-)
Ammonium hexafluorozirconate
Diammonium hexafluorozirconate
Bis(ammonium) hexafluorozirconate(2-)
Diammonium zirconium hexafluoride ((NH4)2ZrF6)
Ammonium zirconium fluoride ((NH4)2ZrF6)
Identifiers:
SMILES:
F.F.N.N.[F-].[F-].[F-].[F-].[Zr+4]
InChI:
InChI=1S/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
Key Properties
Density
1.15 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 | 241.29 g/mol | CAS Common Chemistry |
| 241.29000000000002 g/mol | RDKit | |
| 239.963871976 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.154 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [F-][Zr+4]([F-])([F-])([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=LPFRXGDQGULMEN-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Ammonium hexafluorozirconate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| LogP | -11.3575 | RDKit |
| Molar Refractivity | 15.050199999999998 | RDKit |
