Methyl benzenesulfonate

CAS NO.：80-18-2
Empirical Formula: C7H8O3S
Molecular Weight: 172.2
MDL number: MFCD00014737
EINECS: 201-256-8
SAFETY DATA SHEET (SDS)
Update Date: 2024-12-20 11:34:09

What is Methyl benzenesulfonate?

Chemical properties

clear colourless to slightly brown liquid

The Uses of Methyl benzenesulfonate

A sulfonate ester as potential genotoxic impurity in drug substances.

The Uses of Methyl benzenesulfonate

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.

Solubility

Miscible with chloroform, methanol, ethanol and ether. Immiscible with water.

Synthesis

A method for preparing methyl benzenesulfonate is characterized in that: after benzene sulfonyl chloride is added reaction kettle, drip methanol solution of sodium methylate to finishing; 25～35 ℃ of insulation 30min, insulation finishes, and is neutralized to pH7 ~ 7.2; Filter, filtrating intensification is steamed and is removed methyl alcohol, is cooled to room temperature; Decolorization filtering gets the colourless transparent liquid methyl benzenesulfonate, wherein, and the mol ratio 1:1.2 of benzene sulfonyl chloride and sodium methylate.

Properties of Methyl benzenesulfonate

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
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 for Methyl benzenesulfonate

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.