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Zirconyl Chloride
CAS: 7699-43-6 | Cl2OZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7699-43-6
Molecular Formula:
Cl2OZr
Molecular Mass:
178.13 g/mol
Names and Synonyms:
Zirconyl Chloride
Zirconium, dichlorooxo-
Dichlorooxozirconium
Basic zirconium chloride
Zirconium chloride oxide (ZrOCl2)
Zirconium oxychloride (ZrOCl2)
Zirconyl chloride (ZrOCl2)
Zirconium oxydichloride
Zirconium oxide chloride (ZrOCl2)
Zirconium chloride, basic
Zirconyl chloride
Zirconium oxychloride
Zirconium dichloride monoxide
Zirconium dichloride oxide
Zirconium(IV) oxychloride
Zirconyl dichloride
Zircosol ZC
Zirconium dichloride oxide (ZrCl2O)
Zirconium oxide dichloride
Oxozirconium(IV) chloride
NSC 115914
ZC
Zircosol ZC 20
Zirconium chloride oxide (ZrCl2O)
Orgatix ZC 126
Identifiers:
SMILES:
[Cl-].[Cl-].[O].[Zr+2]
InChI:
InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
Key Properties
Melting Point
260 °C
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 | 178.13 g/mol | CAS Common Chemistry |
| 178.12900000000002 g/mol | RDKit | |
| 175.83732437999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconyl_chloride | CAS Common Chemistry |
| Canonical SMILES | O=[Zr](Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=IPCAPQRVQMIMAN-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 260 °C | CAS Common Chemistry |
| Name | Zirconium oxychloride | CAS Common Chemistry |
| Zirconyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -6.113300000000001 | RDKit |
| Molar Refractivity | 0.6865 | RDKit |
