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Molecule
Selenium Oxydichloride
CAS: 7791-23-3 · Cl2OSe
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7791-23-3
- Molecular Formula
- Cl2OSe
- Molecular Mass
- 165.87 g/mol
Identifiers
CAS Registry Number
7791-23-3
SMILES
O=[Se](Cl)Cl
InChI Key
LIRMPIXWGWLNND-UHFFFAOYSA-N
InChI
InChI=1S/Cl2OSe/c1-4(2)3
Names and Synonyms
- Selenium Oxydichloride Common Name
- Seleninyl chloride Synonym
- Selenium oxychloride Synonym
- Seleninyl dichloride Synonym
- Selenium oxydichloride Synonym
- Selenium chloride oxide (SeCl2O) Synonym
- Selenium dichloride oxide Synonym
- Selenium oxychloride (SeOCl2) Synonym
- Selenyl dichloride (SeOCl2) Synonym
- Dichlorooxoselenium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.87 g/mol | CAS Common Chemistry |
| 165.86499999999998 g/mol | RDKit | |
| 165.865 g/mol | RDKit | |
| 165.859 g/mol | chempirical lib | |
| Density | 2.44 g/cm³ | CAS Common Chemistry |
| 2.44 g/cm3 @ 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 165.84914128 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 = 165.87 g/mol; density = 2.440 g/mL. Edit any field — others recompute live.
