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: 2026-01-13 11:13:56
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. |
Computed Descriptors for Methyl benzenesulfonate
| InChIKey | CZXGXYBOQYQXQD-UHFFFAOYSA-N |
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