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Zirconium Ethoxide
CAS: 18267-08-8 | C2H6OZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18267-08-8
Molecular Formula:
C2H6OZr
Molecular Mass:
137.29 g/mol
Names and Synonyms:
Zirconium Ethoxide
Ethanol, zirconium(4+) salt
Ethyl alcohol, zirconium(4+) salt
Zirconium ethoxide
Tetraethoxyzirconium
Zirconium ethoxide (Zr(OEt)4)
Zirconium tetraethoxide
Tetraethyl zirconate
Zirconium tetrakis(ethoxide)
Zirconium(IV) ethoxide
Tetrakis(ethanolato)zirconium
Identifiers:
SMILES:
CCO.[Zr]
InChI:
InChI=1S/C2H6O.Zr/c1-2-3;/h3H,2H2,1H3;
Key Properties
Boiling Point
180 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
171-173 °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 | 137.29 g/mol | CAS Common Chemistry |
| 137.293 g/mol | RDKit | |
| 135.94656921199999 g/mol | RDKit | |
| Boiling Point | 180 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | [Zr].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Zr/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=MRUQKCHUWQAJRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171-173 °C | CAS Common Chemistry |
| Name | Zirconium ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.0039000000000000146 | RDKit |
| Molar Refractivity | 12.759800000000002 | RDKit |
