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Selenium Oxydichloride
CAS: 7791-23-3 | Cl2OSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-23-3
Molecular Formula:
Cl2OSe
Molecular Mass:
165.87 g/mol
Names and Synonyms:
Selenium Oxydichloride
Seleninyl chloride
Selenium oxychloride
Seleninyl dichloride
Selenium oxydichloride
Selenium chloride oxide (SeCl2O)
Selenium dichloride oxide
Selenium oxychloride (SeOCl2)
Selenyl dichloride (SeOCl2)
Dichlorooxoselenium
Identifiers:
SMILES:
O=[Se](Cl)Cl
InChI:
InChI=1S/Cl2OSe/c1-4(2)3
Key Properties
Boiling Point
180 °C
CAS Common Chemistry
Melting Point
8.5 °C
CAS Common Chemistry
Density
2.44 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 | 165.87 g/mol | CAS Common Chemistry |
| 165.86499999999998 g/mol | RDKit | |
| 165.84914128 g/mol | RDKit | |
| Density | 2.44 g/cm³ | CAS Common Chemistry |
| 2.44 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Selenium_oxydichloride | CAS Common Chemistry |
| Boiling Point | 180 °C | CAS Common Chemistry |
| Canonical SMILES | O=[Se](Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2OSe/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=LIRMPIXWGWLNND-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8.5 °C | CAS Common Chemistry |
| Name | Selenium oxychloride | CAS Common Chemistry |
| Selenium oxydichloride | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.8794 | RDKit |
| Molar Refractivity | 18.146499999999996 | RDKit |
