Methyl benzenesulfonate

Methyl benzenesulfonate Basic information
Description Preparation Genotoxicity Reaction
Product Name:Methyl benzenesulfonate
Synonyms:AKOS BBS-00004424;20ND3-5;ai3-06624;Methyl ester of benzenesulphonic acid;nsc06624;METHYL BENZENESULFONATE;METHYL BENZENESULPHONATE;BENZENESULFONIC ACID METHYL ESTER
CAS:80-18-2
MF:C7H8O3S
MW:172.2
EINECS:201-256-8
Product Categories:Aromatics;Mutagenesis Research Chemicals;Intermediates of Dyes and Pigments;Sulfur & Selenium Compounds;bc0001
Mol File:80-18-2.mol
Methyl benzenesulfonate Structure
Methyl benzenesulfonate Chemical Properties
Melting point -4 °C
Boiling point 147-150°C 13mm
density 1.3
refractive index 1.514-1.516
Fp 143 °C
storage temp. 2-8°C
solubility Chloroform (Sparingly), Methanol (Slightly)
form Liquid
color Clear colorless to slightly yellow
Water Solubility Miscible with chloroform, methanol, ethanol and ether. Immiscible with water.
BRN 908448
InChIKeyCZXGXYBOQYQXQD-UHFFFAOYSA-N
CAS DataBase Reference80-18-2(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenesulfonic acid, methyl ester(80-18-2)
EPA Substance Registry SystemBenzenesulfonic acid, methyl ester (80-18-2)
Safety Information
Hazard Codes C,Xi
Risk Statements 34-22-43
Safety Statements 28A-26-45-36/37/39
RIDADR 3265
WGK Germany 3
RTECS DB7151000
Hazard Note Irritant/Corrosive
TSCA Yes
HazardClass 8
PackingGroup III
HS Code 29051990
MSDS Information
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Methyl benzenesulfonate Usage And Synthesis
DescriptionMethyl benzenesulfonate is used as a raw material for the dye and pharmaceutical industries, used as an alkylating agent in organic synthesis for the production of some synthetic dye. It can also be used for the manufacturing the thin-cation exchanger film.
PreparationMethyl benzenesulfonate is the effective methylating reagent of synthetic multiple organic intermediate, and industry is at present gone up and mainly adopted Phenylsulfonic acid and methyl alcohol to carry out after the esterification essence to steam, this technology starting material costliness, and reaction time is long, and product yield is low. How to get Methyl benzenesulfonate with high yield, scientists have lots of researcher.
GenotoxicityMethyl benzenesulfonate is a sulfonate ester which acts as a potential genotoxic impurity in drug substances. Further, it exerts genotoxic effects in bacterial and mammalian cell systems. Incompatible with strong oxidizing agents, strong acids and strong bases.
ReactionV. M. Nesterov and I. E. Chubova prepared theobromine from 3-methylxanthine, methyl benzenesulfonate, which has been used as the methylating agent. To obtain theobromine, 3-methylxanthine is generally methylated with dimethyl sulfate in an aqueous ethanolic solution of caustic potash. However, if in the reaction the pH exceeds 8.0, the methylation of 3-methylxanthine leads to caffeine, which forms a by-product.
Chemical Propertiesclear colourless to slightly brown liquid
UsesA sulfonate ester as potential genotoxic impurity in drug substances.
UsesMethyl benzenesulfonate is a sulfonate ester which acts as a potential genotoxic impurity in drug substances. Further, it exerts genotoxic effects in bacterial and mammalian cell systems.
Methylparaben ACID YELLOW 40 ACID ORANGE 63 Methyl benzenesulfonate Methyl 2-CHLOROETHYL P-TOLUENESULFONATE Sulfanilic acid Acetonitrile (-)-1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENETHREITOL (S)-Amlodipine 2,2,2-TRIFLUOROETHYL P-TOLUENESULFONATE Calcium dobesilate Kresoxim-methyl Methanol ACID YELLOW 76 (C.I. 18850) Methyl acrylate Methyl p-toluenesulfonate Methyl bromide

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