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Molecule
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 Mass
- 86.91 g/mol
Identifiers
CAS Registry Number
7791-21-1
SMILES
ClOCl
InChI Key
RCJVRSBWZCNNQT-UHFFFAOYSA-N
InChI
InChI=1S/Cl2O/c1-3-2
Names and Synonyms
- Dichlorine Monoxide Common Name
- Chlorine oxide (Cl2O) Synonym
- Chlorine monooxide Synonym
- Dichloroxide Synonym
- Hypochlorous anhydride Synonym
- Chlorine monoxide (Cl2O) Synonym
- Dichlorine monoxide Synonym
- Dichlorine oxide Synonym
- Oxygen dichloride Synonym
- Dichlorine monoxide (ClOCl) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.91 g/mol | CAS Common Chemistry |
| 86.905 g/mol | RDKit | |
| 86.899 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichlorine_monoxide | CAS Common Chemistry |
| Boiling Point | 2.2 °C | CAS Common Chemistry |
| Canonical SMILES | ClOCl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O/c1-3-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RCJVRSBWZCNNQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -120.6 °C | CAS Common Chemistry |
| Name | Chlorine oxide (Cl2O) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.3106 | RDKit |
| Molar Refractivity | 12.791 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.93261998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 86.91 g/mol. Edit any field — others recompute live.
