Get FREE SHIPPING when you spend $99 or more | ATOMFAIR

Awaiting product image

Atomfair 2-Propyn-1-ol, 1-benzenesulfonate C9H8O3S CAS 6165-75-9

2-Propyn-1-ol, 1-benzenesulfonate (CAS No. 6165-75-9) is a high-purity sulfonate ester with the molecular formula C9H8O3S . This compound, also known as prop-2-ynyl benzenesulfonate (IUPAC name), is a versatile intermediate in organic synthesis and pharmaceutical research. It features a reactive propargyl group and a benzenesulfonate moiety, making it valuable for click chemistry, cross-coupling reactions, and polymer modifications. The product is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ensuring consistency for sensitive applications. Suitable for use under inert conditions, it is packaged in amber glass vials to prevent degradation. Ideal for researchers in medicinal chemistry, materials science, and…

Category:

Description

2-Propyn-1-ol, 1-benzenesulfonate (CAS No. 6165-75-9) is a high-purity sulfonate ester with the molecular formula C9H8O3S. This compound, also known as prop-2-ynyl benzenesulfonate (IUPAC name), is a versatile intermediate in organic synthesis and pharmaceutical research. It features a reactive propargyl group and a benzenesulfonate moiety, making it valuable for click chemistry, cross-coupling reactions, and polymer modifications. The product is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ensuring consistency for sensitive applications. Suitable for use under inert conditions, it is packaged in amber glass vials to prevent degradation. Ideal for researchers in medicinal chemistry, materials science, and catalysis.

Properties

  • CAS Number: 6165-75-9
  • Complexity: 285
  • IUPAC Name: prop-2-ynyl benzenesulfonate
  • InChI: InChI=1S/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2
  • InChI Key: RAGBYXLIHQFIPK-UHFFFAOYSA-N
  • Exact Mass: 196.01941529
  • Molecular Formula: C9H8O3S
  • Molecular Weight: 196.22
  • SMILES: C#CCOS(=O)(=O)C1=CC=CC=C1
  • Topological: 51.8
  • Monoisotopic Mass: 196.01941529
  • Synonyms: Propargyl benzenesulfonate, 6165-75-9, 2-Propyn-1-ol, 1-benzenesulfonate, EINECS 228-203-1, DTXSID10884232, DTXCID901023686, Prop-2-yn-1-yl benzenesulfonate, prop-2-ynyl benzenesulfonate, MFCD00013459, C9H8O3S, 2-propynyl benzenesulfonate, Prop-2-ynyl benzenesulphonate, JZ37EVH5NA, SCHEMBL254799, 2-Propyn-1-yl benzenesulfonate, Propargyl benzenesulfonate, 96%, AKOS005206714, CS-W010595, FP34426, SB17961, AC-33573, MS-20649, SY106411, DB-024446, NS00043608, ST50825392, D70393

Application

2-Propyn-1-ol, 1-benzenesulfonate is widely used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its propargyl group enables efficient participation in Huisgen cycloaddition (click chemistry) for bioconjugation and polymer functionalization. Researchers also employ it in palladium-catalyzed cross-coupling reactions to construct complex organic frameworks. The benzenesulfonate moiety acts as a leaving group in nucleophilic substitution reactions, facilitating the introduction of propargyl functionalities.

Safety and Hazards

GHS Hazard Statements

  • H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.8%): 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 (97.8%)
  • Eye Irrit. 2 (97.8%)
  • STOT SE 3 (97.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

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.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products