165956

Methyl benzenesulfonate

98%

• Synonym(s): Benzenesulfonic acid methyl ester, Benzenesulfonic acid, methyl ester, Methyl benzenesulphonate, Methyl besylate, methyl ester of benzenesulphonic acid
• 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

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.

Safety Information

• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter