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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 Mass:
86.91 g/mol
Names and Synonyms:
Dichlorine Monoxide
Chlorine oxide (Cl2O)
Chlorine monooxide
Dichloroxide
Hypochlorous anhydride
Chlorine monoxide (Cl2O)
Dichlorine monoxide
Dichlorine oxide
Oxygen dichloride
Dichlorine monoxide (ClOCl)
Identifiers:
SMILES:
ClOCl
InChI:
InChI=1S/Cl2O/c1-3-2
Key Properties
Boiling Point
2.2 °C
CAS Common Chemistry
Melting Point
-120.6 °C
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 | 86.91 g/mol | CAS Common Chemistry |
| 86.905 g/mol | RDKit | |
| 85.93261998 g/mol | RDKit | |
| 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 |
| Dichlorine monoxide | 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 | RDKit |
