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Sodium Superoxide
CAS: 1313-60-6 | Na2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1313-60-6
Molecular Formula:
Na2O2
Molecular Mass:
77.98 g/mol
Names and Synonyms:
Sodium Superoxide
Sodium peroxide (Na2(O2))
Sodium peroxide
Sodium oxide (Na2O2)
Disodium dioxide
Disodium peroxide
Identifiers:
SMILES:
[Na+].[Na+].[O-][O-]
InChI:
InChI=1S/2Na.O2/c;;1-2/q2*+1;-2
Key Properties
Melting Point
460 °C (decomp)
CAS Common Chemistry
Density
2.81 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 | 77.98 g/mol | CAS Common Chemistry |
| 77.978 g/mol | RDKit | |
| 77.96936780000001 g/mol | RDKit | |
| Density | 2.81 g/cm³ | CAS Common Chemistry |
| 2.805 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_superoxide | CAS Common Chemistry |
| Canonical SMILES | [Na]OO[Na] | CAS Common Chemistry |
| InChI | InChI=1S/2Na.O2/c;;1-2/q2*+1;-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PFUVRDFDKPNGAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 460 °C (decomp) | CAS Common Chemistry |
| Name | Sodium peroxide | CAS Common Chemistry |
| Sodium superoxide | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.12 Ų | RDKit |
| LogP | -8.370000000000001 | RDKit |
| Molar Refractivity | 0.0 | RDKit |
