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Molecule
2-Chloroethanesulfonyl Chloride
CAS: 1622-32-8 · C2H4Cl2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1622-32-8
- Molecular Formula
- C2H4Cl2O2S
- Molecular Mass
- 163.03 g/mol
Identifiers
CAS Registry Number
1622-32-8
SMILES
O=S(=O)(Cl)CCCl
InChI Key
VHCSBTPOPKFYIU-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
Names and Synonyms
- 2-Chloroethanesulfonyl Chloride Synonym
- Ethanesulfonyl chloride, 2-chloro- Synonym
- 2-Chloroethanesulfonyl chloride Synonym
- 2-Chloroethylsulfonyl chloride Synonym
- 2-Chloroethanesulfonic acid chloride Synonym
- β-Chloroethanesulfonyl chloride Synonym
- 2-Chloro-1-ethanesulfonyl chloride Synonym
- Chloroethanesulfonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.03 g/mol | CAS Common Chemistry |
| 163.025 g/mol | RDKit | |
| 163.012 g/mol | chempirical lib | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.555 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Chloroethanesulfonyl_chloride | CAS Common Chemistry |
| Boiling Point | 3-200 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)CCCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VHCSBTPOPKFYIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 3 °C | CAS Common Chemistry |
| Name | 2-Chloroethanesulfonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 0.7938000000000001 | RDKit |
| 0.7938 | RDKit | |
| Molar Refractivity | 30.359799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.930905728 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 163.03 g/mol; density = 1.560 g/mL. Edit any field — others recompute live.
