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Molecule
Sodium Hexafluorozirconate
CAS: 16925-26-1 · F6Na2Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16925-26-1
- Molecular Formula
- F6Na2Zr
- Molecular Mass
- 251.19 g/mol
Identifiers
CAS Registry Number
16925-26-1
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Zr+4]
InChI Key
KSYURTCLCUKLSF-UHFFFAOYSA-H
InChI
InChI=1S/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6
Names and Synonyms
- Sodium Hexafluorozirconate Common Name
- Zirconate(2-), hexafluoro-, sodium (1:2), (OC-6-11)- Synonym
- Zirconate(2-), hexafluoro-, disodium Synonym
- Zirconate(2-), hexafluoro-, disodium, (OC-6-11)- Synonym
- Sodium hexafluorozirconate(IV) Synonym
- Sodium fluozirconate(IV) (Na2ZrF6) Synonym
- Sodium hexafluorozirconate Synonym
- Sodium zirconium fluoride (Na2ZrF6) Synonym
- Disodium hexafluorozirconate(2-) Synonym
- Disodium hexafluorozirconate Synonym
- Disodium zirconium hexafluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.19 g/mol | CAS Common Chemistry |
| 251.192 g/mol | RDKit | |
| 263.288 g/mol | chempirical lib | |
| Canonical SMILES | [Na+].[F-][Zr+4]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=KSYURTCLCUKLSF-UHFFFAOYSA-H | CAS Common Chemistry |
| Name | Sodium hexafluorozirconate | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | -23.970499999999998 | RDKit |
| -23.9705 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.87466228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 251.19 g/mol. Edit any field — others recompute live.
