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Atomfair 1-Ethynyl-3,5-difluorobenzene C8H4F2 CAS 151361-87-4

1-Ethynyl-3,5-difluorobenzene (CAS No. 151361-87-4) is a high-purity aromatic compound with the molecular formula C8H4F2. This specialty chemical features an ethynyl group attached to a 3,5-difluorobenzene ring, making it a valuable building block for advanced organic synthesis, pharmaceutical intermediates, and materials science research. Its unique structure enables applications in cross-coupling reactions, click chemistry, and the development of fluorinated polymers. Available in research quantities with >95% purity (GC), this compound is rigorously tested for consistency and stability. Suitable for use in inert atmospheres due to its reactive alkyne functionality. Store under nitrogen at -20°C to maintain optimal stability.

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Description

1-Ethynyl-3,5-difluorobenzene (CAS No. 151361-87-4) is a high-purity aromatic compound with the molecular formula C8H4F2. This specialty chemical features an ethynyl group attached to a 3,5-difluorobenzene ring, making it a valuable building block for advanced organic synthesis, pharmaceutical intermediates, and materials science research. Its unique structure enables applications in cross-coupling reactions, click chemistry, and the development of fluorinated polymers. Available in research quantities with >95% purity (GC), this compound is rigorously tested for consistency and stability. Suitable for use in inert atmospheres due to its reactive alkyne functionality. Store under nitrogen at -20°C to maintain optimal stability.

Properties

  • CAS Number: 151361-87-4
  • Complexity: 146
  • IUPAC Name: 1-ethynyl-3,5-difluoro-benzene
  • InChI: InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
  • InChI Key: OTDGZDMGSFBZLI-UHFFFAOYSA-N
  • Exact Mass: 138.02810645
  • Molecular Formula: C8H4F2
  • Molecular Weight: 138.11
  • SMILES: C#CC1=CC(=CC(=C1)F)F
  • Monoisotopic Mass: 138.02810645
  • Synonyms: 1-Ethynyl-3,5-difluorobenzene, 151361-87-4, DTXSID40400843, DTXCID30351698, 626-084-4, BENZENE, 1-ETHYNYL-3,5-DIFLUORO-, 3,5-Difluorophenylacetylene, MFCD04039982, 1-ETHYNYL-3 5-DIFLUOROBENZENE 97, 1-ETHYNYL-3 5-DIFLUOROBENZENE 97, 1-ethynyl-3,5-difluoro-benzene, SCHEMBL314317, SCHEMBL1858280, OTDGZDMGSFBZLI-UHFFFAOYSA-N, SBB085995, AKOS010651617, 1-Ethynyl-3,5-difluorobenzene, 97%, AB17470, CS-W019127, 1-Ethynyl-3 pound not5-difluorobenzene, DS-13345, SY064680, E1352, A18231, EN300-103705

Application

1-Ethynyl-3,5-difluorobenzene serves as a key precursor in Sonogashira coupling reactions for creating conjugated systems in organic electronics. The compound’s fluorinated aromatic ring enhances its utility in pharmaceutical development, particularly for PET radiotracer synthesis. Researchers also employ it as a monomer for synthesizing fluorinated polyacetylenes with unique optoelectronic properties.

Safety and Hazards

GHS Hazard Statements

  • H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.6%): 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 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (97.6%)

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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).

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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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