Cas no 58743-76-3 ([1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-)

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- is a biphenyl derivative featuring a propyl substituent at the 4'-position and a cyano group at the 4-position. This compound is of interest in organic synthesis and materials science due to its rigid biphenyl core and functional groups, which enable further derivatization. The cyano group enhances polarity and reactivity, making it useful in cross-coupling reactions or as a precursor for heterocyclic systems. The propyl chain may influence solubility and crystallinity, broadening its applicability in liquid crystal or polymer research. Its well-defined structure ensures consistent performance in synthetic applications.
[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- structure
58743-76-3 structure
Product Name:[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-
CAS No:58743-76-3
MF:C16H15N
MW:221.297003984451
MDL:MFCD00505987
CID:57317
PubChem ID:253659789
Update Time:2025-06-12

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Chemical and Physical Properties

Names and Identifiers

    • 4'-Propyl-[1,1'-biphenyl]-4-carbonitrile
    • 4-Propyl-4'-cyanobiphenyl
    • 4-Cyano-4'-Propyl Biphenyl
    • 4-Cyano-4'-n-propylbiphenyl
    • 4-(4-propylphenyl)benzonitrile
    • 4-Propyl-4’-cyanobiphenyl
    • 3CB
    • 4'-Propyl-4-biphenylcarbonitrile
    • 4'-Propyl[1,1'-biphenyl]-4-carbonitrile
    • 4-(4'-Propylphenyl)benzonitrile
    • 4-Cyano-4'-propylbiphenyl
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-
    • 4-Cyano-4'-n-propyl-biphenyl
    • 4'-Propylbiphenyl-4-carbonitrile
    • 4'-Propyl-4-cyanobiphenyl
    • 4-(trans-4-propylphenyl)benzonitrile
    • (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
    • 4-(4-propylphenyl)benzenecarbonitrile
    • 4'-Propyl(1,1'-biphenyl)-4
    • MDL： MFCD00505987
    • Inchi： 1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
    • InChI Key： XFMPTZWVMVMELB-UHFFFAOYSA-N
    • SMILES： N#CC1C=CC(=CC=1)C1C=CC(=CC=1)CCC

Computed Properties

  • Exact Mass: 221.12000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 4.6
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 65.0 to 67.0 deg-C
  • PSA: 23.79000
  • LogP: 4.17778

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Security Information

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Pricemore >>

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[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Production Method

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- Related Literature

Related Categories

Additional information on [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-

Comprehensive Overview of [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- (CAS No. 58743-76-3)

[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- is a specialized organic compound with the CAS number 58743-76-3, widely recognized for its applications in advanced material science and pharmaceutical intermediates. This compound belongs to the biphenyl derivatives family, characterized by its unique molecular structure combining a cyanobenzene moiety with a propyl-substituted biphenyl backbone. Its chemical properties make it a valuable building block in synthesizing high-performance polymers, liquid crystals, and agrochemicals.

In recent years, the demand for 4'-propyl-[1,1'-biphenyl]-4-carbonitrile has surged due to its role in OLED (Organic Light-Emitting Diode) technologies. Researchers highlight its potential as an electron-transport material, aligning with the global shift toward energy-efficient displays. A 2023 study published in Advanced Materials emphasized its thermal stability and charge-carrier mobility, key factors for next-gen optoelectronic devices. This aligns with trending searches like "biphenyl derivatives for OLEDs" and "sustainable electronic materials."

Another critical application of CAS 58743-76-3 lies in pharmaceutical synthesis. Its nitrile functional group enables versatile reactivity, facilitating the production of anti-inflammatory and anticancer drug intermediates. Industry forums frequently discuss its use in cross-coupling reactions, a hotspot for queries such as "nitrile-based pharmaceutical intermediates". The compound’s low toxicity profile further enhances its appeal for green chemistry initiatives.

From an industrial perspective, [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- is synthesized via palladium-catalyzed coupling or Suzuki-Miyaura reactions, methods often searched alongside terms like "scalable biphenyl synthesis". Its purification typically involves recrystallization or column chromatography, ensuring >98% purity for high-end applications. Regulatory databases confirm its compliance with REACH and FDA guidelines, addressing common concerns about "chemical safety in manufacturing."

Environmental considerations are also paramount. Recent life-cycle assessments (LCAs) of 58743-76-3 highlight its biodegradability under controlled conditions, resonating with eco-conscious trends like "sustainable chemical production." Startups are exploring its use in bio-based polymers, tapping into the booming market for renewable materials—a topic dominating search engines and AI-driven research tools.

In summary, [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- (CAS 58743-76-3) bridges cutting-edge technology and sustainable chemistry. Its versatility in optoelectronics, pharma, and green materials positions it as a compound of significant industrial and academic interest. For deeper insights, explore peer-reviewed journals on "biphenyl nitrile applications" or attend webinars on "advanced organic synthesis techniques."

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