Methanesulfonyl chloride

Formula: CH₃ClO₂S
Molecular weight: 114.551
IUPAC Standard InChI: InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
IUPAC Standard InChIKey: QARBMVPHQWIHKH-UHFFFAOYSA-N
CAS Registry Number: 124-63-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Chloro methyl sulfone; Mesyl chloride; Methanesulfonic acid chloride; Methanesulfuryl chloride; Methanesulphonyl chloride; Methyl sulfochloride; Methylsulfonyl chloride; CH3SO2Cl; NSC 15039
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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
Data at other public NIST sites:
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase ion energetics data

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Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.6	PE	Solouki, Bock, et al., 1975	Vertical value
11.6	PE	Solouki, Bock, et al., 1972	Vertical value
11.74	PE	Mines, Thomas, et al., 1972	Vertical value

Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1216.	Shimoda, Peralta, et al., 1996	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 230. C

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Methyl silicone	130.	774.	Seifert, Kalina, et al., 1976	Nitrogen, Chromaton N AW (0.20-0.25 mm); Column length: 6.1 m
Packed	Methyl silicone	150.	778.	Seifert, Kalina, et al., 1976	Nitrogen, Chromaton N AW (0.20-0.25 mm); Column length: 6.1 m

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	742.	Zenkevich, 2005	25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T_start: 50. C; T_end: 250. C

References

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Solouki, Bock, et al., 1975
Solouki, B.; Bock, H.; Appel, R., Photoelektronenspektren und Molekuleigenschaften, XLV Schwefelsaure-Derivate X₂SY₂: Alkyl-, Vinyl- und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide, Chem. Ber., 1975, 108, 897. [all data]

Solouki, Bock, et al., 1972
Solouki, B.; Bock, H.; Appel, R., Sequence of orbitals in sulfones and sulfodiimides, Angew. Chem. Int. Ed. Engl., 1972, 11, 927. [all data]

Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H., Photoelectron spectra of compounds containing thionyl and sulphuryl groups, Proc. R. Soc. London A:, 1972, 329, 275. [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Seifert, Kalina, et al., 1976
Seifert, R.; Kalina, J.; Sxec, P.; Zbirovsky, M., GasChromatographische bestimmung von chlorierten C1-sulfonylchloriden, Sbornik Vysoke skoly chemicko-technologicke v Prage, 1976, C23, 21-26. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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