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Molecule
Ammonium Hexafluorozirconate
CAS: 16919-31-6 · H8F6N2Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16919-31-6
- Molecular Formula
- H8F6N2Zr
- Molecular Mass
- 241.29 g/mol
Identifiers
CAS Registry Number
16919-31-6
SMILES
F.F.N.N.[F-].[F-].[F-].[F-].[Zr+4]
InChI Key
LPFRXGDQGULMEN-UHFFFAOYSA-J
InChI
InChI=1S/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
Names and Synonyms
- Ammonium Hexafluorozirconate Common Name
- Zirconate(2-), hexafluoro-, ammonium (1:2), (OC-6-11)- Synonym
- Zirconate(2-), hexafluoro-, diammonium Synonym
- Zirconate(2-), hexafluoro-, diammonium, (OC-6-11)- Synonym
- Ammonium hexafluorozirconate(IV) Synonym
- Ammonium fluozirconate(IV) ((NH4)2ZrF6) Synonym
- Diammonium hexafluorozirconate(2-) Synonym
- Ammonium hexafluorozirconate Synonym
- Diammonium hexafluorozirconate Synonym
- Bis(ammonium) hexafluorozirconate(2-) Synonym
- Diammonium zirconium hexafluoride ((NH4)2ZrF6) Synonym
- Ammonium zirconium fluoride ((NH4)2ZrF6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.29 g/mol | CAS Common Chemistry |
| 241.29000000000002 g/mol | RDKit | |
| 249.354 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.963871976 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 241.29 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
