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Molecule
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
Identifiers
CAS Registry Number
7699-43-6
SMILES
[Cl-].[Cl-].[O].[Zr+2]
InChI Key
IPCAPQRVQMIMAN-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
Names and Synonyms
- Zirconyl Chloride Synonym
- Zirconium, dichlorooxo- Synonym
- Dichlorooxozirconium Synonym
- Basic zirconium chloride Synonym
- Zirconium chloride oxide (ZrOCl2) Synonym
- Zirconium oxychloride (ZrOCl2) Synonym
- Zirconyl chloride (ZrOCl2) Synonym
- Zirconium oxydichloride Synonym
- Zirconium oxide chloride (ZrOCl2) Synonym
- Zirconium chloride, basic Synonym
- Zirconyl chloride Synonym
- Zirconium oxychloride Synonym
- Zirconium dichloride monoxide Synonym
- Zirconium dichloride oxide Synonym
- Zirconium(IV) oxychloride Synonym
- Zirconyl dichloride Synonym
- Zircosol ZC Synonym
- Zirconium dichloride oxide (ZrCl2O) Synonym
- Zirconium oxide dichloride Synonym
- Oxozirconium(IV) chloride Synonym
- NSC 115914 Synonym
- ZC Synonym
- Zircosol ZC 20 Synonym
- Zirconium chloride oxide (ZrCl2O) Synonym
- Orgatix ZC 126 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.13 g/mol | CAS Common Chemistry |
| 178.12900000000002 g/mol | RDKit | |
| 178.129 g/mol | RDKit | |
| 186.187 g/mol | chempirical lib | |
| 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 |
| -6.1133 | RDKit | |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 175.83732437999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 178.13 g/mol. Edit any field — others recompute live.
