Description

p-Toluenesulfonic acid, 2-propynyl ester (CAS No. 6165-76-0) is a high-purity sulfonate ester with the molecular formula C₁₀H₁₀O₃S. Also known as prop-2-ynyl 4-methylbenzenesulfonate (IUPAC name), this compound is a versatile reagent widely used in organic synthesis, particularly in the formation of carbon-carbon bonds and as an intermediate in pharmaceutical and agrochemical applications. Its unique propargyl group enables participation in click chemistry and other advanced coupling reactions. This product is rigorously tested for purity and stability, ensuring optimal performance in research and industrial processes. Available in various quantities, it is packaged under inert conditions to maintain integrity.

Properties

• CAS Number: 6165-76-0
• Complexity: 309
• IUPAC Name: prop-2-ynyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C10H10O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
• InChI Key: LMBVCSFXFFROTA-UHFFFAOYSA-N
• Exact Mass: 210.03506535
• Molecular Formula: C10H10O3S
• Molecular Weight: 210.25
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC#C
• Topological: 51.8
• Monoisotopic Mass: 210.03506535
• Synonyms: Propargyl p-toluenesulfonate, 6165-76-0, 2-Propyn-1-ol, 4-methylbenzenesulfonate, p-TOLUENESULFONIC ACID, 2-PROPYNYL ESTER, CCRIS 9146, BRN 1912957, XBC3GGJ44A, 2-propynyl p-toluenesulfonate, DTXSID80210665, 4-11-00-00263 (Beilstein Handbook Reference), 1-((P-TOLUENESULFONYL)OXY)-2-PROPYNE, DTXCID10133156, 629-278-7, Prop-2-yn-1-yl 4-methylbenzenesulfonate, Propargyl Tosylate, prop-2-ynyl 4-methylbenzenesulfonate, Propargyl p-toluene sulfonate, MFCD01462194, p-Toluenesulfonic Acid Propargyl Ester, UNII-XBC3GGJ44A, Propargyl p-toluenesulphonate, SCHEMBL1117279, SBB008937, 2-Propynyl 4-methylbenzenesulfonate #, AKOS015840418, AB10387, AC-7059, CS-W015112, AS-19271, ST097011, SY025680, NS00123213, prop-2-yn-1-yl 4-methylbenzene-1-sulfonate, T1455, Propargyl p-toluenesulfonate, >=97.0% (GC), EN300-5034481

Application

p-Toluenesulfonic acid, 2-propynyl ester is commonly employed as a key intermediate in organic synthesis, particularly in the preparation of propargyl derivatives. It serves as a precursor in click chemistry reactions, enabling the formation of triazole linkages under mild conditions. Researchers also utilize it in polymer chemistry and materials science for functionalizing surfaces or creating cross-linked networks. Its reactivity makes it valuable in pharmaceutical development for constructing complex molecular architectures.

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 (88.9%): 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 (88.9%)

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