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Atomfair 1-Ethynyl-4-fluorobenzene 4-Fluorophenylacetylene C8H5F CAS 766-98-3

1-Ethynyl-4-fluorobenzene (CAS No. 766-98-3) is a high-purity fluorinated aromatic alkyne with the molecular formula C8H5F . This compound features a terminal ethynyl group (–C≡CH) attached to a para-fluorinated benzene ring, making it a versatile building block for organic synthesis, pharmaceuticals, and materials science applications. Its rigid, conjugated structure and electron-withdrawing fluorine substituent enhance reactivity in cross-coupling reactions (e.g., Sonogashira, Click chemistry) and serve as a precursor for advanced polymers, liquid crystals, and bioactive molecules. Available in >98% purity (GC), it is supplied in sealed ampules or under inert gas to ensure stability. Ideal for researchers developing fluorinated scaffolds, OLED materials,…

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Description

1-Ethynyl-4-fluorobenzene (CAS No. 766-98-3) is a high-purity fluorinated aromatic alkyne with the molecular formula C8H5F. This compound features a terminal ethynyl group (–C≡CH) attached to a para-fluorinated benzene ring, making it a versatile building block for organic synthesis, pharmaceuticals, and materials science applications. Its rigid, conjugated structure and electron-withdrawing fluorine substituent enhance reactivity in cross-coupling reactions (e.g., Sonogashira, Click chemistry) and serve as a precursor for advanced polymers, liquid crystals, and bioactive molecules. Available in >98% purity (GC), it is supplied in sealed ampules or under inert gas to ensure stability. Ideal for researchers developing fluorinated scaffolds, OLED materials, or PET radiotracers. Store at 2-8°C in a dry, dark environment.

Properties

  • CAS Number: 766-98-3
  • Complexity: 123
  • IUPAC Name: 1-ethynyl-4-fluoro-benzene
  • InChI: InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
  • InChI Key: QXSWHQGIEKUBAS-UHFFFAOYSA-N
  • Exact Mass: 120.037528322
  • Molecular Formula: C8H5F
  • Molecular Weight: 120.12
  • SMILES: C#CC1=CC=C(C=C1)F
  • Monoisotopic Mass: 120.037528322
  • Synonyms: 1-Ethynyl-4-fluorobenzene, 4-Fluorophenylacetylene, 766-98-3, Benzene, 1-ethynyl-4-fluoro-, (p-Fluorophenyl)acetylene, 4-FC6H4CCH, DTXSID10335017, 1-ETHYNYL,4-FLUORO-BENZENE, DTXCID60286106, 616-372-8, inchi=1/c8h5f/c1-2-7-3-5-8(9)6-4-7/h1,3-6, qxswhqgiekubas-uhfffaoysa-n, 1-ethynyl-4-fluoro-benzene, MFCD00168823, 4′-fluorophenyl acetylene, 1-Ethynyl-4-fluoro-benzene; 1-Fluoro-4-ethynylbenzene;, 4-FLUOROPHENYLACETYELNE, 4-fluorophenyl acetylene, 4-Fluoro phenylacetylene, (4-fluorophenyl)acetylene, 1-fluoro-4-ethynylbenzene, 4-ethynyl-1-fluorobenzene, 1-Ethinyl-4-fluorobenzene, 1-Fluoro-4-ethynylbenzene;, 1-Ethynyl-4-fluorobenzene #, SCHEMBL186243, SCHEMBL210861, CHEMBL233810, SCHEMBL15353007, 1-Ethynyl-4-fluorobenzene, 99%, SBB064531, AKOS008901264, CS-W016580, PB43440, PS-9227, AC-19403, DB-019178, F0470, EN300-103797, doi:10.14272/QXSWHQGIEKUBAS-UHFFFAOYSA-N.1, F0001-1953

Application

1-Ethynyl-4-fluorobenzene is widely used as a key intermediate in pharmaceutical synthesis, particularly for fluorinated drug candidates targeting CNS disorders. Its ethynyl group enables efficient coupling with azides or halides to construct triazoles or extended π-systems for optoelectronic materials. In materials science, it serves as a monomer for conductive polymers and as a ligand in catalytic systems. The fluorine atom enhances metabolic stability in bioactive compounds.

Safety and Hazards

GHS Hazard Statements

  • H228 (98.1%): Flammable solid [Danger Flammable solids]
  • H315 (79.2%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

  • Flam. Sol. 1 (98.1%)
  • Skin Irrit. 2 (79.2%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (98.1%)

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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).

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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.

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  • 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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