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Atomfair 1-Ethynyl-3-fluorobenzene 3-Fluorophenylacetylene C8H5F CAS 2561-17-3

1-Ethynyl-3-fluorobenzene (CAS No. 2561-17-3) is a high-purity fluorinated aromatic acetylene compound with the molecular formula C8H5F . This specialized chemical building block features a terminal alkyne group adjacent to a fluorine-substituted benzene ring, offering unique reactivity for cross-coupling reactions , click chemistry , and polymer synthesis . Our product is rigorously tested by HPLC and GC to ensure ≥98% purity, making it ideal for pharmaceutical intermediates, material science research, and organic synthesis applications. Supplied in amber glass vials under inert atmosphere to prevent degradation. Suitable for use in Sonogashira coupling, Huisgen cycloaddition, and as a precursor for fluorinated polyacetylenes.

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Description

1-Ethynyl-3-fluorobenzene (CAS No. 2561-17-3) is a high-purity fluorinated aromatic acetylene compound with the molecular formula C8H5F. This specialized chemical building block features a terminal alkyne group adjacent to a fluorine-substituted benzene ring, offering unique reactivity for cross-coupling reactions, click chemistry, and polymer synthesis. Our product is rigorously tested by HPLC and GC to ensure ≥98% purity, making it ideal for pharmaceutical intermediates, material science research, and organic synthesis applications. Supplied in amber glass vials under inert atmosphere to prevent degradation. Suitable for use in Sonogashira coupling, Huisgen cycloaddition, and as a precursor for fluorinated polyacetylenes.

Properties

  • CAS Number: 2561-17-3
  • Complexity: 131
  • IUPAC Name: 1-ethynyl-3-fluoro-benzene
  • InChI: InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
  • InChI Key: PTRUTZFCVFUTMW-UHFFFAOYSA-N
  • Exact Mass: 120.037528322
  • Molecular Formula: C8H5F
  • Molecular Weight: 120.12
  • SMILES: C#CC1=CC(=CC=C1)F
  • Monoisotopic Mass: 120.037528322
  • Synonyms: 1-Ethynyl-3-fluorobenzene, 628-768-8, 3-Fluorophenylacetylene, 2561-17-3, 1-ethynyl-3-fluoro-benzene, Benzene, 1-ethynyl-3-fluoro-, 3′-fluorophenyl acetylene, 3-fluorophenyl acetylene, 3-FC6H4CCH, MFCD03093798, ethynyl-3-fluorobenzene, 3-fluorophenyl-acetylene, (3-fluorophenyl)-ethyne, 1-ethynyl-3fluorobenzene, 3-ethynyl-1-fluorobenzene, SCHEMBL6913, 1-ethynyl-3-fluorobenzene;, SCHEMBL405775, SCHEMBL1419567, SCHEMBL1859766, SCHEMBL3219040, SCHEMBL17046357, DTXSID30334284, 1-Ethynyl-3-fluorobenzene, 98%, AC-420, BBL102715, SBB064527, STL556521, AKOS009158105, CS-W013579, PS-9229, DB-028505, E1332, EN300-192568

Application

1-Ethynyl-3-fluorobenzene serves as a versatile intermediate in medicinal chemistry for introducing fluorinated phenylacetylene moieties into drug candidates. The compound is particularly valuable in PET radiopharmaceutical development where the fluorine-18 analog can be synthesized for imaging applications. Researchers utilize this building block in materials science to create fluorinated conductive polymers with enhanced thermal stability. The terminal alkyne group enables efficient participation in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions for bioconjugation.

Safety and Hazards

GHS Hazard Statements

  • H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]
  • H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

  • Flam. Liq. 3 (97.8%)
  • Skin Irrit. 2 (97.8%)
  • Eye Irrit. 2 (97.8%)
  • STOT SE 3 (95.6%)

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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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