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Atomfair 1-Ethynyl-4-propoxybenzene C11H12O CAS 39604-97-2

1-Ethynyl-4-propoxybenzene (CAS No. 39604-97-2) is a high-purity aromatic compound with the molecular formula C11H12O , widely utilized in organic synthesis and material science research. This compound features an ethynyl group attached to a propoxy-substituted benzene ring, making it a valuable intermediate for cross-coupling reactions, polymerization, and the development of advanced organic frameworks. Its structural versatility allows for applications in liquid crystals, conductive polymers, and pharmaceutical intermediates. Available in various quantities, our product undergoes rigorous quality control to ensure ≥98% purity (HPLC/GC), with detailed technical data sheets (TDS) and certificates of analysis (CoA) provided. Suitable for laboratory and industrial-scale use, it…

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Description

1-Ethynyl-4-propoxybenzene (CAS No. 39604-97-2) is a high-purity aromatic compound with the molecular formula C11H12O, widely utilized in organic synthesis and material science research. This compound features an ethynyl group attached to a propoxy-substituted benzene ring, making it a valuable intermediate for cross-coupling reactions, polymerization, and the development of advanced organic frameworks. Its structural versatility allows for applications in liquid crystals, conductive polymers, and pharmaceutical intermediates. Available in various quantities, our product undergoes rigorous quality control to ensure ≥98% purity (HPLC/GC), with detailed technical data sheets (TDS) and certificates of analysis (CoA) provided. Suitable for laboratory and industrial-scale use, it is packaged under inert conditions to guarantee stability and longevity.

Properties

  • CAS Number: 39604-97-2
  • Complexity: 157
  • IUPAC Name: 1-ethynyl-4-propoxy-benzene
  • InChI: InChI=1S/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3
  • InChI Key: NMKZRVMAECEGMV-UHFFFAOYSA-N
  • Exact Mass: 160.088815002
  • Molecular Formula: C11H12O
  • Molecular Weight: 160.21
  • SMILES: CCCOC1=CC=C(C=C1)C#C
  • Topological: 9.2
  • Monoisotopic Mass: 160.088815002
  • Synonyms: 1-ethynyl-4-propoxybenzene, 39604-97-2, DTXSID30379397, DTXCID30330423, 4-n-Propoxyphenylacetylene, 1-eth-1-ynyl-4-propoxybenzene, P-ETHYNYLPROPOXYBENZENE, MFCD00173879, 1-ethynyl-4-propoxy-benzene, 4-ETHYNYLPROPOXYBENZENE, 4-Propoxyphenylacetylene, 1-ethinyl-4-propoxybenzene, 4-n-propyloxyphenylacetylene, 4-(propoxy)-phenylacetylene, SCHEMBL163688, 4-(n-propyloxy)phenylacetylene, SCHEMBL1860926, NMKZRVMAECEGMV-UHFFFAOYSA-N, AKOS009158161, SB66930, DS-18464, SY239061, DB-030737, CS-0061507, EN300-2522149

Application

1-Ethynyl-4-propoxybenzene serves as a key building block in Sonogashira coupling reactions for synthesizing conjugated polymers with optoelectronic properties. Researchers employ it in the development of liquid crystal materials due to its rigid aromatic core and flexible propoxy tail. Additionally, it finds use in pharmaceutical intermediate synthesis and as a precursor for advanced organic frameworks (MOFs/COFs).

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): 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 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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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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