Cas no 80221-11-0 (1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene)

1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene is a liquid crystalline compound characterized by its rigid, linear molecular structure derived from a central benzene core linked via an ethynyl bridge to a substituted phenyl group. This configuration imparts high thermal stability and mesomorphic properties, making it suitable for advanced applications in liquid crystal displays (LCDs) and optoelectronic devices. The n-butyl substituents enhance solubility in organic solvents while maintaining low viscosity, facilitating uniform alignment in thin-film formulations. Its well-defined conjugated system contributes to favorable electronic properties, including tunable birefringence and dielectric anisotropy. The compound is valued for its compatibility with high-performance LC mixtures, offering precise control over electro-optic response in display technologies.
1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene structure
80221-11-0 structure
Product Name:1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene
CAS No:80221-11-0
MF:C22H26
MW:290.441846370697
MDL:MFCD04038794
CID:90771
PubChem ID:13710203
Update Time:2025-08-05

1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene Chemical and Physical Properties

Names and Identifiers

    • 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene
    • 1-n-Butyl-4-[(4-butylphenyl)ethynyl]benzene
    • 1-butyl-4-[2-(4-butylphenyl)ethynyl]benzene
    • (CC6H4-4-C4H9)2
    • 1,1'-(1,2-Ethynediyl)bis[4-butylbenzene]
    • 1,1'-Ethyne-1,2-diylbis(4-butylbenzene)
    • 1,2-bis(4-butylphenyl)ethyne
    • 1,2-bis(4-n-butylphenyl)acetylene
    • 1,2-bis[4-(n-butyl)phenyl]ethyne
    • 1-Butyl-4-[2-(4-butylphenyl)-1-ethynyl]benzene
    • bis-(4-butyl-phenyl)-acetylene
    • Bis(4-butylphenyl)acetylene
    • CS-0455932
    • 80221-11-0
    • A929397
    • C22H26
    • 1,1'-(Ethyne-1,2-diyl)bis(4-butylbenzene)
    • AKOS015839750
    • 3-[(4-Bromophenyl)carbamoyl]benzeneboronicacid
    • MFCD04038794
    • DTXSID60547365
    • UUVMZCQRPVPWNI-UHFFFAOYSA-N
    • 1,2-Di-(4-N-butylphenyl)acetylene
    • MDL: MFCD04038794
    • Inchi: 1S/C22H26/c1-3-5-7-19-9-13-21(14-10-19)17-18-22-15-11-20(12-16-22)8-6-4-2/h9-16H,3-8H2,1-2H3
    • InChI Key: UUVMZCQRPVPWNI-UHFFFAOYSA-N
    • SMILES: C(CC)CC1C=CC(C#CC2C=CC(=CC=2)CCCC)=CC=1

Computed Properties

  • Exact Mass: 290.20300
  • Monoisotopic Mass: 290.203450829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 307
  • 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: 7.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 0.98
  • Melting Point: 41°C
  • Boiling Point: 172-174°C/0.5mm
  • Flash Point: 172-174°C/0.5mm
  • Refractive Index: 1.56
  • PSA: 0.00000
  • LogP: 5.77160
  • Solubility: Insoluble in water

1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene 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%

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Additional information on 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene

Comprehensive Overview of 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene (CAS No. 80221-11-0)

1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene (CAS No. 80221-11-0) is an organic compound belonging to the class of arylalkynes. This compound features a unique molecular structure characterized by a central benzene ring substituted with a n-butyl group and an ethynyl linkage connected to another n-butylphenyl moiety. Such structural attributes make it a subject of interest in advanced material science, particularly in the development of liquid crystals, organic semiconductors, and photovoltaic materials.

The compound's extended π-conjugation system, facilitated by the ethynyl bridge, enhances its electronic properties, making it suitable for applications in optoelectronic devices. Researchers have explored its potential in OLEDs (Organic Light-Emitting Diodes) and solar cells, where its ability to facilitate electron transport is highly valued. Additionally, its thermal stability and solubility in common organic solvents contribute to its versatility in synthetic chemistry and industrial applications.

In recent years, the demand for sustainable materials has driven innovation in the field of organic electronics. 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene aligns with this trend, as its synthesis can be optimized to reduce environmental impact. For instance, greener synthetic routes employing catalytic methods or biobased precursors are being investigated to enhance its eco-friendly profile.

From a commercial perspective, this compound is often referenced in patents related to high-performance displays and energy-efficient lighting. Its role in flexible electronics is another area of growing interest, as the industry shifts toward wearable technology and foldable devices. Companies specializing in advanced materials are actively researching derivatives of 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene to improve device efficiency and longevity.

For researchers and manufacturers, understanding the structure-property relationships of this compound is critical. Its crystallinity, melting point, and optical absorption characteristics are key parameters that influence its performance in end-use applications. Analytical techniques such as NMR spectroscopy, X-ray diffraction, and HPLC (High-Performance Liquid Chromatography) are commonly employed to characterize its purity and molecular conformation.

In summary, 1-n-Butyl-4-[(4-n-butylphenyl)ethynyl]benzene (CAS No. 80221-11-0) represents a promising candidate for next-generation electronic materials. Its combination of structural modularity, electronic tunability, and application versatility positions it at the forefront of innovation in fields ranging from renewable energy to smart devices. As the scientific community continues to explore its potential, this compound is likely to play a pivotal role in shaping the future of functional organic materials.

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