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165956

Sigma-Aldrich

Methyl benzenesulfonate

98%

Synonym(s):

Benzenesulfonic acid methyl ester, Benzenesulfonic acid, methyl ester, Methyl benzenesulphonate, Methyl besylate, methyl ester of benzenesulphonic acid

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About This Item

Empirical Formula (Hill Notation):
C7H8O3S
CAS Number:
80-18-2
Molecular Weight:
172.20
EC Number:
201-256-8
MDL number:
MFCD00014737
UNSPSC Code:
12352200
PubChem Substance ID:
329751277
NACRES:
NA.22

assay

98%

form

liquid

storage temp.

2-8°C

SMILES string

COS(=O)(=O)c1ccccc1

InChI

1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3

InChI key

CZXGXYBOQYQXQD-UHFFFAOYSA-N

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Application

Methyl benzenesulfonate can be used asa methylation agent:
  • For the C-methylation of perbromothiophene tosynthesize tribromo-methyl thiophene in the presence of butyllithium.
  • In the nickel-catalyzedmethylation of unactivated alkyl halides and acid chlorides to prepare methylatedalkanes and ketones.
It can alsobe used as a reactant in the etherification of sophoridinol derivatives tosynthesize N-substituted sophoridinic methyl ether derivatives.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Journal of pharmaceutical and biomedical analysis, 168, 23-29 (2019-02-21)
Alkyl sulfonate esters have been widely concerned as genotoxic impurities (GTIs). A gas chromatography triple-quadrupole mass spectrometry (GC-MS/MS) method has been developed for trace determination of 9 commonly encountered sulfonate esters in drug substances. Three different solvents of acetonitrile (ACN)

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