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Zirconium(Iv) Chloride
CAS: 10026-11-6 | Cl4Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10026-11-6
Molecular Formula:
Cl4Zr
Molecular Mass:
233.04 g/mol
Names and Synonyms:
Zirconium(Iv) Chloride
Zirconium chloride (ZrCl4), (T-4)-
Zirconium chloride (ZrCl4)
Zirconium tetrachloride
Zirconium chloride
Tetrachlorozirconium
Zirconium chloride (Zr2Cl8)
Zirconium(IV) chloride
Orgatix ZB 126
Identifiers:
SMILES:
[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChI:
InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4
Key Properties
Boiling Point
331 °C
CAS Common Chemistry
Melting Point
436 °C
CAS Common Chemistry
Density
2.80 g/cm³
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 | 233.04 g/mol | CAS Common Chemistry |
| 233.036 g/mol | RDKit | |
| 229.78011512 g/mol | RDKit | |
| Density | 2.80 g/cm³ | CAS Common Chemistry |
| 2.803 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(IV)_chloride | CAS Common Chemistry |
| Boiling Point | 331 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Zr](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=DUNKXUFBGCUVQW-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 436 °C | CAS Common Chemistry |
| Name | Zirconium chloride (ZrCl4) | CAS Common Chemistry |
| Zirconium(IV) chloride | 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 | RDKit |
