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Zirconium(Iv) Iodide
CAS: 13986-26-0 | I4Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13986-26-0
Molecular Formula:
I4Zr
Molecular Mass:
598.84 g/mol
Names and Synonyms:
Zirconium(Iv) Iodide
Zirconium iodide (ZrI4)
Zirconium tetraiodide
Zirconium iodide
Identifiers:
SMILES:
[I-].[I-].[I-].[I-].[Zr+4]
InChI:
InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4
Key Properties
Melting Point
499 °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 | 598.84 g/mol | CAS Common Chemistry |
| 597.5225964 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(IV)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Zr](I)(I)I | CAS Common Chemistry |
| InChI | InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=XLMQAUWIRARSJG-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 499 °C | CAS Common Chemistry |
| Name | Zirconium iodide (ZrI4) | CAS Common Chemistry |
| Zirconium(IV) iodide | 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 |
