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Methyl benzenesulfonate

Description Preparation Genotoxicity Reaction

CAS No.80-18-2
Chemical Name:Methyl benzenesulfonate
CBNumber:CB0776273
Molecular Formula:C7H8O3S
Formula Weight:172.2
MOL File:80-18-2.mol

Methyl benzenesulfonate Property

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)
FDA UNII 69X50842RM
NIST Chemistry Reference Benzenesulfonic acid, methyl ester(80-18-2)
EPA Substance Registry System Benzenesulfonic acid, methyl ester (80-18-2)
UNSPSC Code 41116107
NACRES NA.24

Safety

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

NFPA 704:

	1
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H302-H314-H317
Precautionary statements P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338

Methyl benzenesulfonate Price More Price(7)

Brand: Sigma-Aldrich(India)
Product number: 165956
Product name : Methyl benzenesulfonate
Purity: 98%
Packaging: 100G
Price: ₹7048.65
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 165956
Product name : Methyl benzenesulfonate
Purity: 98%
Packaging: 500G
Price: ₹23509.2
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: B0033
Product name : Methyl Benzenesulfonate
Purity: min. 98.0 %
Packaging: 25ML
Price: ₹2500
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: B0033
Product name : Methyl Benzenesulfonate
Purity: min. 98.0 %
Packaging: 100ML
Price: ₹8900
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: B0033
Product name : Methyl Benzenesulfonate
Purity: min. 98.0 %
Packaging: 500ML
Price: ₹13200
Updated: 2022/05/26
Buy: Buy

Methyl benzenesulfonate Chemical Properties,Usage,Production

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.