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Atomfair 1-Ethoxy-4-ethynylbenzene C10H10O CAS 79887-14-2

1-Ethoxy-4-ethynylbenzene (CAS No. 79887-14-2) is a high-purity organic compound with the molecular formula C10H10O . This aromatic alkyne derivative features an ethoxy group and an ethynyl group para-substituted on a benzene ring, making it a valuable intermediate in synthetic organic chemistry and materials science. Its IUPAC name, 1-ethoxy-4-ethynylbenzene , reflects its precise structural configuration. This compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ensuring consistency for research applications. It is stored under inert conditions to maintain stability and is compatible with Sonogashira coupling, click chemistry, and other cross-coupling reactions. Ideal for pharmaceutical, agrochemical, and polymer…

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Description

1-Ethoxy-4-ethynylbenzene (CAS No. 79887-14-2) is a high-purity organic compound with the molecular formula C10H10O. This aromatic alkyne derivative features an ethoxy group and an ethynyl group para-substituted on a benzene ring, making it a valuable intermediate in synthetic organic chemistry and materials science. Its IUPAC name, 1-ethoxy-4-ethynylbenzene, reflects its precise structural configuration. This compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ensuring consistency for research applications. It is stored under inert conditions to maintain stability and is compatible with Sonogashira coupling, click chemistry, and other cross-coupling reactions. Ideal for pharmaceutical, agrochemical, and polymer research, it is packaged in amber glass vials or sealed ampoules to prevent degradation.

Properties

  • CAS Number: 79887-14-2
  • Complexity: 146
  • IUPAC Name: 1-ethoxy-4-ethynyl-benzene
  • InChI: InChI=1S/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3
  • InChI Key: FRGNOZUOTHMJSC-UHFFFAOYSA-N
  • Exact Mass: 146.073164938
  • Molecular Formula: C10H10O
  • Molecular Weight: 146.19
  • SMILES: CCOC1=CC=C(C=C1)C#C
  • Topological: 9.2
  • Monoisotopic Mass: 146.073164938
  • Synonyms: 1-ethoxy-4-ethynylbenzene, 641-151-8, 4-ethoxyphenylacetylene, 79887-14-2, 1-ethoxy-4-ethynyl-benzene, 1-ethoxy-4-eth-1-ynylbenzene, MFCD00173880, 4′-Ethoxyphenyl acetylene, 4-Ethynylphenetole, Benzene, 1-ethoxy-4-ethynyl-, 4′-Ethoxyphenylacetylene, 1-ethynyl-4-ethoxybenzene, p-ethoxyethynylbenzene, 4-ethoxy phenyl acetylene, 4-ethoxy-1-ethynyl-benzene, SCHEMBL163203, SCHEMBL1857053, SCHEMBL15352898, DTXSID90379398, SBB064838, AKOS005146064, GS-3332, AC-19402, SY020512, DB-012633, A9934, CS-0130265, E1029, A19190, EN300-102634, Z1080385490

Application

1-Ethoxy-4-ethynylbenzene serves as a versatile building block in organic synthesis, particularly in the preparation of conjugated polymers and liquid crystals via Sonogashira coupling. Its ethynyl group enables click chemistry modifications for bioconjugation or dendrimer synthesis. Researchers also utilize it in ligand design for catalytic systems or as a precursor in pharmaceutical intermediate synthesis.

Safety and Hazards

GHS Hazard Statements

  • H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

  • P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (92.7%)

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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.

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  • 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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