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Molecule
Zirconium Tetrafluoride
CAS: 7783-64-4 · F4Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7783-64-4
- Molecular Formula
- F4Zr
- Molecular Mass
- 167.22 g/mol
Identifiers
CAS Registry Number
7783-64-4
SMILES
[F-].[F-].[F-].[F-].[Zr+4]
InChI Key
OMQSJNWFFJOIMO-UHFFFAOYSA-J
InChI
InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4
Names and Synonyms
- Zirconium Tetrafluoride Common Name
- Zirconium fluoride (ZrF4), (T-4)- Synonym
- Zirconium fluoride (ZrF4) Synonym
- Zirconium tetrafluoride Synonym
- Zirconium fluoride Synonym
- Zirconium(IV) fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.22 g/mol | CAS Common Chemistry |
| 167.216 g/mol | RDKit | |
| 175.28 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium_tetrafluoride | CAS Common Chemistry |
| Canonical SMILES | F[Zr](F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=OMQSJNWFFJOIMO-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 1205 °C | CAS Common Chemistry |
| Name | Zirconium fluoride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -11.9865 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 165.89831728000001 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 = 167.22 g/mol. Edit any field — others recompute live.
