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Methanesulfonyl Chloride
CAS: 124-63-0 | CH3ClO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-63-0
Molecular Formula:
CH3ClO2S
Molecular Mass:
114.55 g/mol
Names and Synonyms:
Methanesulfonyl Chloride
Methanesulfonyl chloride
Methanesulfonic acid chloride
Methylsulfonyl chloride
Chloro methyl sulfone
Mesyl chloride
Methyl sulfochloride
NSC 15039
Methanesulfochloride
Identifiers:
SMILES:
CS(=O)(=O)Cl
InChI:
InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
Key Properties
Boiling Point
62 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
-32 °C
CAS Common Chemistry
Density
1.48 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 | 114.55 g/mol | CAS Common Chemistry |
| 114.55300000000001 g/mol | RDKit | |
| 113.954228016 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.4805 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonyl_chloride | CAS Common Chemistry |
| Boiling Point | 62 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QARBMVPHQWIHKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -32 °C | CAS Common Chemistry |
| Name | Methanesulfonyl 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 | 0.18480000000000008 | RDKit |
| Molar Refractivity | 20.696799999999996 | RDKit |
