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Sulfuryl Chloride
CAS: 7791-25-5 | Cl2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-25-5
Molecular Formula:
Cl2O2S
Molecular Mass:
134.97 g/mol
Names and Synonyms:
Sulfuryl Chloride
Sulfuryl chloride
Sulfuric oxychloride
Sulfuric dichloride
Sulfonyl chloride
Sulfur chloride oxide (SO2Cl2)
Sulfuryl chloride (SO2Cl2)
Sulphuryl chloride
Sulfuryl dichloride
Sulfonyl dichloride
Sulfur chloride oxide (SCl2O2)
Sulfur oxychloride (SO2Cl2)
Identifiers:
SMILES:
O=S(=O)(Cl)Cl
InChI:
InChI=1S/Cl2O2S/c1-5(2,3)4
Key Properties
Boiling Point
69.3 °C
CAS Common Chemistry
Melting Point
-54.1 °C
CAS Common Chemistry
Density
1.67 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 | 134.97 g/mol | CAS Common Chemistry |
| 134.971 g/mol | RDKit | |
| 133.8996056 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.6674 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuryl_chloride | CAS Common Chemistry |
| Boiling Point | 69.3 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O2S/c1-5(2,3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=YBBRCQOCSYXUOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -54.1 °C | CAS Common Chemistry |
| Name | Sulfuryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 0.7088000000000001 | RDKit |
| Molar Refractivity | 20.625799999999998 | RDKit |
