Methyl benzenesulfonate Chemical Properties

Melting point:

-4 °C

Boiling point:

147-150°C 13mm

Density 

1.3

refractive index 

1.514-1.516

Flash point:

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

InChIKey

CZXGXYBOQYQXQD-UHFFFAOYSA-N

CAS DataBase Reference

80-18-2(CAS DataBase Reference)

NIST Chemistry Reference

Benzenesulfonic acid, methyl ester(80-18-2)

EPA Substance Registry System

Benzenesulfonic 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

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Methyl benzenesulfonate Usage And Synthesis

Description

Methyl 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.

Preparation

Methyl 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.

Genotoxicity

Methyl 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.

Reaction

V. 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 Properties

clear colourless to slightly brown liquid

Uses

A sulfonate ester as potential genotoxic impurity in drug substances.

Uses

Methyl 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.

Methyl benzenesulfonate(80-18-2)Related Product Information

• Methyl acrylate
• Calcium dobesilate
• Methanol
• (S)-Amlodipine
• Methyl methanesulfonate
• Kresoxim-methyl
• Acetonitrile
• Sulfanilic acid
• Methylparaben
• 2-Carbomethoxybenzenesulfonamide
• Cisatracurium besylate
• Methyl acetate
• Methyl formate
• Dodecylbenzenesulphonic acid
• Amlodipine Besylate
• CALCIUM DODECYLBENZENE SULFONATE
• Paraquat dichloride
• Basic Violet 1