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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
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Quality Segment

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

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 Codes

H302,H314,H317

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 (personal protective equipment)

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

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