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165956

Methyl benzenesulfonate

Name: Methyl benzenesulfonate
Brand: ALDRICH

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

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Properties

Quality Level

100

assay

98%

form

liquid

functional group

sulfonic acid

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

Description

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

GHS05,GHS07

signalword

Danger

hcodes

H302,H314,H317

pcodes

P261 - P272 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338

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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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

Development and validation of a sensitive method for alkyl sulfonate genotoxic impurities determination in drug substances using gas chromatography coupled to triple quadrupole mass spectrometry.

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)

Global Trade Item Number

SKU	GTIN
165956-100G	04061838748782
165956-500G	04061838748799