Description

Methyl benzenesulfonate (CAS No. 80-18-2) is a high-purity organic sulfonate ester with the molecular formula C₇H₈O₃S. This compound, also known as methyl besylate, is a versatile reagent widely used in organic synthesis, pharmaceutical research, and material science applications. As a benzenesulfonic acid derivative, it serves as an effective alkylating agent and intermediate in the preparation of more complex molecules.

Our product is rigorously tested to ensure exceptional quality, with typical purity levels exceeding 98% (GC analysis). The compound presents as a clear to slightly yellow liquid with a characteristic aromatic odor. It is supplied in amber glass bottles under inert atmosphere to maintain stability, with options available for bulk quantities to meet industrial-scale requirements.

Key specifications include:

• Molecular Weight: 172.20 g/mol
• Boiling Point: 292-294°C
• Density: 1.273 g/cm³ at 25°C
• Refractive Index: n²⁰_D 1.515-1.517
• Flash Point: >110°C

Proper storage recommendations include keeping the product in a cool, dry place (2-8°C ideal) with protection from moisture and light. Safety data sheets are available upon request, and all shipments include appropriate hazard documentation in compliance with international regulations.

Properties

• CAS Number: 80-18-2
• Complexity: 196
• IUPAC Name: methyl benzenesulfonate
• InChI: InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: CZXGXYBOQYQXQD-UHFFFAOYSA-N
• Exact Mass: 172.01941529
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.20
• SMILES: COS(=O)(=O)C1=CC=CC=C1
• Topological: 51.8
• Monoisotopic Mass: 172.01941529
• Physical Description: Colorless liquid;
• Synonyms: METHYL BENZENESULFONATE, Benzenesulfonic acid, methyl ester, Methyl benzenesulphonate, Methyl besylate, CCRIS 9156, NSC 3214, EINECS 201-256-8, Methyl ester of benzenesulphonic acid, NSC 06624, BRN 0908448, AI3-06624, NSC-3214, 69X50842RM, DTXSID5052549, UNII-69X50842RM, 4-11-00-00029 (Beilstein Handbook Reference), DTXCID6031122, 20ND35, 690-039-5, czxgxyboqyqxqd-uhfffaoysa-n, un3265, 80-18-2, Benzenesulfonic Acid Methyl Ester, methylbenzenesulfonate, 20ND3-5, METHYL BENZENE SULFONATE, MFCD00014737, methyl benzene-sulfonate, Benzolsulfonsauremethylester, SCHEMBL94530, SCHEMBL696314, SCHEMBL1987847, SCHEMBL4602192, SCHEMBL4602195, NSC3214, BCP22900, SBB040933, AKOS000120218, FM178117, PS-10679, B0033, CS-0020960, NS00038064, EN300-15725, E76340, Q18500364, Z45457929, Methyl Benzenesulphonate; Atracurium Besilate Imp. J (EP); Atracurium Imp. J (EP); Atracurium Besilate Impurity J; Atracurium Impurity J

Application

Methyl benzenesulfonate finds primary application as an efficient methylating agent in organic synthesis, particularly useful for introducing methyl groups to oxygen and nitrogen nucleophiles. In pharmaceutical research, it serves as a key intermediate for synthesizing various active pharmaceutical ingredients (APIs) and fine chemicals. The compound also demonstrates utility in polymer chemistry as a modifier and in materials science for surface functionalization.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (96.2%)
• Skin Corr. 1A (98.7%)
• Skin Sens. 1 (55.7%)
• Muta. 2 (29.1%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.