Description

Phenyl Methanesulfonate (CAS No. 16156-59-5) is a high-purity organic sulfonate ester with the molecular formula C₇H₈O₃S. This compound, also known by its IUPAC name phenyl methanesulfonate, is a versatile reagent widely used in organic synthesis, pharmaceutical research, and material science. It features a methanesulfonate (mesylate) group bonded to a phenyl ring, offering excellent reactivity as an alkylating or sulfonating agent. Our product is rigorously tested for purity (typically ≥98% by HPLC) and is supplied as a clear to pale-yellow liquid with minimal moisture content. Suitable for use under inert atmospheres, it is packaged in amber glass bottles to ensure stability. Ideal for nucleophilic substitution reactions, cross-coupling protocols, and as a precursor for advanced intermediates.

Properties

• CAS Number: 16156-59-5
• Complexity: 196
• IUPAC Name: phenyl methanesulfonate
• InChI: InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N
• Exact Mass: 172.01941529
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.20
• SMILES: CS(=O)(=O)OC1=CC=CC=C1
• Topological: 51.8
• Monoisotopic Mass: 172.01941529
• Synonyms: Phenyl methanesulfonate, 16156-59-5, DTXSID60311482, DTXCID20262608, 626-664-7, Methanesulfonic acid, phenyl ester, phenylmethanesulfonate, MFCD00095143, Methanesulfonic Acid Phenyl Ester, NSC243664, phenyl methylsulfonate, phenyl methyl sulfonate, Phenylmethanesulfonate (4), SCHEMBL23130, SCHEMBL23650, Phenyl methanesulfonate, 98%, SCHEMBL323791, SCHEMBL2287643, BDBM237292, AKOS006221855, AB10306, FS-3895, NSC 243664, NSC-243664, SY050523, DB-043496, CS-0150117, P1852, ST50411029

Application

Phenyl Methanesulfonate is commonly employed as an electrophilic reagent in organic synthesis, particularly in nucleophilic aromatic substitution reactions. It serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Researchers utilize it in Suzuki-Miyaura and other cross-coupling reactions due to its reactive mesylate leaving group. Additionally, it finds use in polymer chemistry as a modifying agent for aromatic monomers.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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