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Dichlorine Monoxide
CAS: 7791-21-1 | Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-21-1
Molecular Formula:
Cl2O
Molecular Weight:
86.905 g/mol
Names and Synonyms:
Dichlorine Monoxide
Dichlorine monoxide (ClOCl)
Oxygen dichloride
Dichlorine oxide
Dichlorine monoxide
Chlorine monoxide (Cl2O)
Hypochlorous anhydride
Dichloroxide
Chlorine monooxide
Chlorine oxide (Cl2O)
Identifiers:
SMILES:
ClOCl
InChI:
InChI=1S/Cl2O/c1-3-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-melting-point | -120.6 °C None | Legacy Database |
| molecular_mass | 86.91 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dichlorine_monoxide None | Legacy Database |
| cas-boiling-point | 2.2 °C None | Legacy Database |
| cas-canonical-smile | ClOCl None | Legacy Database |
| cas-inchi | InChI=1S/Cl2O/c1-3-2 None | Legacy Database |
| cas-inchi-key | InChIKey=RCJVRSBWZCNNQT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chlorine oxide (Cl2O) None | Legacy Database |
| wikipedia-name | Dichlorine monoxide None | Legacy Database |
| LogP | 1.3106 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.905 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.93261998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.791 | RDKit |
