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Atomfair p-Toluenesulfonic acid, 2-propynyl ester Propargyl p-toluenesulfonate C10H10O3S CAS 6165-76-0

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.

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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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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