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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

Quality Level

100

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

Signal Word

Danger

Hazard Statements

H302,H314,H317

Hazard Classifications

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

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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