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Merck
CN

165956

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
NACRES:
NA.22
PubChem Substance ID:
329751277
UNSPSC Code:
12352200
EC Number:
201-256-8
MDL number:
MFCD00014737
Assay:
98%
Form:
liquid

Key Documents

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InChI key

CZXGXYBOQYQXQD-UHFFFAOYSA-N

InChI

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

SMILES string

COS(=O)(=O)c1ccccc1

assay

98%

form

liquid

functional group

sulfonic acid

storage temp.

2-8°C

Quality Level

100

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF8041V
SDBB5889
STBK9821
STBJ7523
STBH7824

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Julian L Goggi et al.
Molecular imaging and biology, 22(4), 993-1002 (2020-02-02)
Cancer immunotherapy has shown huge potential in the fight against cancer, but only a small proportion of patients respond successfully to treatment. Non-invasive methods to stratify responders from non-responders are critically important as immune therapies are often associated with immune-related
Zhen Liu et al.
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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