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Methanesulfonic Acid
CAS: 75-75-2 | CH4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-75-2
Molecular Formula:
CH4O3S
Molecular Mass:
96.11 g/mol
Names and Synonyms:
Methanesulfonic Acid
Methanesulfonic acid
Methylsulfonic acid
MCAT 1201
NSC 3718
Scaleva
Mesylic acid
Lutropure MAS
Lutropur MSA
Lutropur G 100
Circuposit Neutralizer 3319/4190
Methanesulfonic acids
Mesylates
Lutropur MSA 100
Identifiers:
SMILES:
CS(=O)(=O)O
InChI:
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
Key Properties
Boiling Point
167 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
20 °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 | 96.11 g/mol | CAS Common Chemistry |
| 96.107 g/mol | RDKit | |
| 95.988114988 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.4812 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonic_acid | CAS Common Chemistry |
| Boiling Point | 167 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=AFVFQIVMOAPDHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C | CAS Common Chemistry |
| Name | Methanesulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | -0.49599999999999983 | RDKit |
| Molar Refractivity | 17.472600000000003 | RDKit |
