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Hafnium(Iv) Oxide
CAS: 12055-23-1 | HfO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12055-23-1
Molecular Formula:
HfO2
Molecular Mass:
210.49 g/mol
Names and Synonyms:
Hafnium(Iv) Oxide
Hafnium oxide (HfO2)
Hafnium dioxide
Hafnium dioxide (HfO2)
Hafnia
Hafnotrast
Hafnia (HfO2)
Hafnium oxide
NSC 158931
Hf 05 (oxide)
Hf 05
Identifiers:
SMILES:
[Hf].[O].[O]
InChI:
InChI=1S/Hf.2O
Key Properties
Melting Point
2780 °C
CAS Common Chemistry
Density
9.70 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 | 210.49 g/mol | CAS Common Chemistry |
| 210.488 g/mol | RDKit | |
| 211.93637924 g/mol | RDKit | |
| Density | 9.70 g/cm³ | CAS Common Chemistry |
| 9.7 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hafnium(IV)_oxide | CAS Common Chemistry |
| Canonical SMILES | O=[Hf]=O | CAS Common Chemistry |
| InChI | InChI=1S/Hf.2O | CAS Common Chemistry |
| InChI Key | InChIKey=CJNBYAVZURUTKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2780 °C | CAS Common Chemistry |
| Name | Hafnium oxide | CAS Common Chemistry |
| Hafnium(IV) oxide | CAS Common Chemistry | |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.0 Ų | RDKit |
| LogP | -0.2401 | RDKit |
| Molar Refractivity | 1.373 | RDKit |
