Back to Search
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
Common Name
Dichlorine monoxide (ClOCl)
Synonym
Oxygen dichloride
Synonym
Dichlorine oxide
Synonym
Dichlorine monoxide
Synonym
Chlorine monoxide (Cl2O)
Synonym
Hypochlorous anhydride
Synonym
Dichloroxide
Synonym
Chlorine monooxide
Synonym
Chlorine oxide (Cl2O)
Synonym
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 |
|---|---|---|
| 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 |
| cas-melting-point | -120.6 °C None | Legacy Database |
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 |