Cas no 102225-55-8 ((4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE)

(4-Ethylphenyl)-(4'-n-propylphenyl)ethyne is a diarylacetylene derivative characterized by its rigid, linear molecular structure, which is advantageous for applications in liquid crystal materials and organic semiconductors. The compound's extended π-conjugation system enhances electronic properties, making it suitable for optoelectronic devices. Its ethyl and propyl substituents contribute to tailored solubility and mesomorphic behavior, facilitating precise alignment in liquid crystal phases. The ethynyl linkage ensures thermal and chemical stability, while the aromatic rings provide structural integrity. This compound is primarily utilized in advanced material research, particularly in the development of high-performance display technologies and organic electronic components. Its well-defined synthesis route allows for consistent purity and reproducibility.
(4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE structure
102225-55-8 structure
Product Name:(4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE
CAS No:102225-55-8
MF:C19H20
MW:248.362105369568
CID:91234
PubChem ID:613080
Update Time:2025-08-05

(4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE Chemical and Physical Properties

Names and Identifiers

    • (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE
    • 1-ETHYL-4-[2-(4-N-PROPYLPHENYL)ETHYNYL]BENZENE
    • 2T3
    • 4-ETHYLPHENYL-4'-N-PROPYLPHENYLACETYLENE
    • 4-ETHYL-4'-N-PROPYLTOLANE
    • TOLANE 2-3
    • 1-[(4-Ethylphenyl)ethynyl]-4-propylbenzene
    • 1-Ethyl-4-[(4-n-propylphenyl)ethynyl]benzene
    • 1-ethyl-4-[2-(4-propylphenyl)ethynyl]benzene
    • Benzene,1-[(4-ethylphenyl)ethynyl]-4-propyl
    • (4-ethylphenyl)(4'-n-propylphenyl)ethyne
    • DTXSID80346534
    • 1-Ethyl-4-[(4-propylphenyl)ethynyl]benzene
    • SAVOJCMTUWNCLL-UHFFFAOYSA-N
    • 1-[(4-Ethylphenyl)ethynyl]-4-propylbenzene #
    • Benzene, 1-[(4-ethylphenyl)ethynyl]-4-propyl-
    • 1-Ethyl-4-((4-propylphenyl)ethynyl)benzene
    • 102225-55-8
    • AKOS027378095
    • MDL: MFCD05864410
    • Inchi: 1S/C19H20/c1-3-5-17-10-12-19(13-11-17)15-14-18-8-6-16(4-2)7-9-18/h6-13H,3-5H2,1-2H3
    • InChI Key: SAVOJCMTUWNCLL-UHFFFAOYSA-N
    • SMILES: C(CC)C1C=CC(C#CC2C=CC(=CC=2)CC)=CC=1

Computed Properties

  • Exact Mass: 248.15700
  • Monoisotopic Mass: 248.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 299
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1
  • Melting Point: 49-51°C
  • Boiling Point: 368.6°Cat760mmHg
  • Flash Point: 172.2°C
  • Refractive Index: 1.576
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 0.00000
  • LogP: 4.60130
  • Solubility: Insoluble in water

(4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

(4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE Pricemore >>

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Additional information on (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE

Comprehensive Overview of (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE (CAS No. 102225-55-8)

The compound (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE (CAS No. 102225-55-8) is a specialized organic molecule that has garnered significant attention in the fields of materials science, organic electronics, and pharmaceutical intermediates. Its unique structure, featuring an ethynyl bridge between two aromatic rings, makes it a valuable building block for advanced applications. This article delves into its properties, synthesis, and potential uses, while addressing common queries and trending topics in the scientific community.

One of the most frequently searched questions about (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE is its role in OLED technology. With the growing demand for energy-efficient displays, researchers are exploring this compound as a potential emitter layer material due to its high thermal stability and tunable electronic properties. Its extended π-conjugation system allows for efficient charge transport, a critical factor in next-generation optoelectronics.

Another hot topic is the compound's application in pharmaceutical research. The ethynyl linkage in 102225-55-8 provides a versatile handle for click chemistry, enabling the rapid assembly of complex drug candidates. Recent studies highlight its potential as a scaffold for kinase inhibitors and anticancer agents, aligning with the surge in interest around targeted therapies.

From a synthetic perspective, (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE is typically prepared via Sonogashira coupling, a palladium-catalyzed reaction that forms carbon-carbon bonds between aryl halides and terminal alkynes. This method is favored for its mild reaction conditions and high yields, making it a staple in modern organic synthesis.

Environmental and regulatory considerations are also trending in discussions about this compound. Unlike many halogenated aromatics, 102225-55-8 lacks heavy metals or persistent organic pollutants, positioning it as a greener alternative for industrial applications. Its low ecotoxicity profile has been noted in recent life cycle assessments, resonating with the global push for sustainable chemistry.

In the realm of advanced materials, researchers are investigating the compound's liquid crystalline behavior. Its rigid, linear structure and substituent effects (ethyl and propyl groups) enable precise control over mesophase formation, relevant for self-assembling systems and sensor technologies. This aligns with the booming interest in smart materials for wearable devices.

For analytical chemists, CAS 102225-55-8 presents distinct spectroscopic signatures. The alkyne stretch in IR spectra (~2100 cm-1) and characteristic aromatic proton shifts in NMR (δ 7.2–7.6 ppm) serve as key identification markers. These features are often queried in spectral interpretation forums, reflecting the compound's use as a reference standard.

Market trends indicate rising demand for (4-ETHYLPHENYL)-(4'-N-PROPYLPHENYL)ETHYNE in Asia-Pacific regions, driven by expansions in electronics manufacturing and contract research organizations. Suppliers are increasingly offering custom synthesis services for this compound, catering to the need for high-purity batches (>98%) in R&D applications.

Future research directions may explore its photocatalytic properties or modifications to enhance solubility in polar media—two areas gaining traction in nanotechnology circles. As patent filings related to 102225-55-8 increase annually, the compound exemplifies the intersection of academic discovery and industrial innovation.

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