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Disulfuryl Chloride
CAS: 7791-27-7 | Cl2O5S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-27-7
Molecular Formula:
Cl2O5S2
Molecular Mass:
215.04 g/mol
Names and Synonyms:
Disulfuryl Chloride
Disulfuryl chloride
Pyrosulfuryl chloride
Chlorosulfonic anhydride
Disulfur pentoxydichloride
Sulfur pentoxydichloride
Pyrosulfuryl chloride (S2O5Cl2)
Identifiers:
SMILES:
O=S(=O)(Cl)OS(=O)(=O)Cl
InChI:
InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6
Key Properties
Boiling Point
151 °C
CAS Common Chemistry
Melting Point
-37 °C
CAS Common Chemistry
Density
1.84 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 | 215.04 g/mol | CAS Common Chemistry |
| 215.035 g/mol | RDKit | |
| 213.85642046 g/mol | RDKit | |
| Density | 1.84 g/cm³ | CAS Common Chemistry |
| 1.837 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 151 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)OS(=O)(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=NNTJKSMVNWGFTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -37 °C | CAS Common Chemistry |
| Name | Disulfuryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.51 Ų | RDKit |
| LogP | -0.029799999999999827 | RDKit |
| Molar Refractivity | 30.6306 | RDKit |
