| Identification | More | [Name]
Methyl benzenesulfonate | [CAS]
80-18-2 | [Synonyms]
AKOS BBS-00004424
BENZENESULFONIC ACID METHYL ESTER
METHYL BENZENESULFONATE
METHYL BENZENESULPHONATE
20ND3-5
ai3-06624
Methyl ester of benzenesulphonic acid
nsc06624
Methylbenzenesulfonate99%
Methylbenzenesulfonate,98%
Methyl benzenesulphonate 98%
Methylbenzoxysulfonate | [EINECS(EC#)]
201-256-8 | [Molecular Formula]
C7H8O3S | [MDL Number]
MFCD00014737 | [Molecular Weight]
172.2 | [MOL File]
80-18-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless to slightly brown liquid | [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 | [InChI]
1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3 | [InChIKey]
CZXGXYBOQYQXQD-UHFFFAOYSA-N | [SMILES]
COS(=O)(=O)c1ccccc1 | [CAS DataBase Reference]
80-18-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenesulfonic acid, methyl ester(80-18-2) | [EPA Substance Registry System]
80-18-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H314-H317 | [Precautionary statements ]
P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3265 | [WGK Germany ]
3 | [RTECS ]
DB7151000 | [Hazard Note ]
Irritant/Corrosive | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29051990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Corr. 1B
Skin Sens. 1 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Chlorosulfonic acid-->Benzyl alcohol-->Benzenesulfonic acid sodium salt-->Benzenediazonium,tetrafluoroborate-->Benzenesulfonyl chloride | [Preparation Products]
Atracurium besylate-->2-Butynedioic acid, 1,4-bis(4-methoxyphenyl) ester-->Methyl phenyl sulfoxide-->Trimethylfluorosilane-->Methyl 4-nitrobenzenesulfonate-->(1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate-->2-(2-carboxyethyl)-1-[(3,4-dimethoxyphenyl)methyl]-,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinolinium benzenesulfonate-->Trimethylsilylbenzenesulfonate-->Atracurium Impurity 26 Besylate |
| Questions And Answer | Back Directory | [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. | [Photolysis]
Irradiation of methyl benzenesulfonate in methanol causes photolysis, yielding benzene (5–34%), biphenyl (9–15%), and phenethyl ether (trace amounts). The quantum yield of extinction at a wavelength of 254 nm at room temperature is estimated to be 0.07 ± 0.005 [1]. | [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.
|
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless to slightly brown liquid | [Uses]
A sulfonate ester as potential genotoxic impurity in drug substances. | [References]
[1] Y. Izawa, Naoki K. (1975). Photolysis of Methyl Benzenesulfonate in Methanol. Bulletin of the Chemical Society of Japan, 48 1, 3197–3199. https://doi.org/10.1246/bcsj.48.3197
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Maya High Purity Chemicals
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+86 (573) 82222445 (0)18006601000 452520369 |
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