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Methanesulfonyl Fluoride
CAS: 558-25-8 | CH3FO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
558-25-8
Molecular Formula:
CH3FO2S
Molecular Mass:
98.10 g/mol
Names and Synonyms:
Methanesulfonyl Fluoride
Methanesulfonyl fluoride
Fumette
MSF
Fluoro methyl sulfone
Mesyl fluoride
Methylsulfonyl fluoride
Identifiers:
SMILES:
CS(=O)(=O)F
InChI:
InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
Key Properties
Boiling Point
123-124 °C
CAS Common Chemistry
Density
1.35 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 | 98.10 g/mol | CAS Common Chemistry |
| 98.09800000000001 g/mol | RDKit | |
| 97.983778556 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3470 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonyl_fluoride | CAS Common Chemistry |
| Boiling Point | 123-124 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KNWQLFOXPQZGPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methanesulfonyl fluoride | 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 | -0.08449999999999991 | RDKit |
| Molar Refractivity | 15.951800000000002 | RDKit |
