Cas no 39065-43-5 (3-Phenylpicolinonitrile)

3-Phenylpicolinonitrile structure
3-Phenylpicolinonitrile structure
Product Name:3-Phenylpicolinonitrile
CAS No:39065-43-5
MF:C12H8N2
MW:180.205322265625
MDL:MFCD07437900
CID:297200
PubChem ID:13415152
Update Time:2025-11-01

3-Phenylpicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Phenylpicolinonitrile
    • 2-Cyano-3-phenylpyridine
    • 2-Pyridinecarbonitrile,3-phenyl-
    • 3-phenylpyridine-2-carbonitrile
    • 3-phenyl-pyridine-2-carbonitrile
    • BS-28215
    • 2-cyano-3-phenylpyridine, AldrichCPR
    • SCHEMBL1008743
    • ZSNUPFREOOEHDI-UHFFFAOYSA-N
    • CS-0205228
    • A873724
    • MFCD07437900
    • FT-0751181
    • 1-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYL)-PYRROLIDINE-2-CARBOXYLICACID
    • 39065-43-5
    • DTXSID80540095
    • phenylpicolinonitrile
    • AKOS006284613
    • SB53507
    • DB-081489
    • G81248
    • MDL: MFCD07437900
    • Inchi: 1S/C12H8N2/c13-9-12-11(7-4-8-14-12)10-5-2-1-3-6-10/h1-8H
    • InChI Key: ZSNUPFREOOEHDI-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C=1C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 180.06900
  • Monoisotopic Mass: 180.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.17
  • Melting Point: 125-126 oC
  • Boiling Point: 379 oC
  • Flash Point: 129 oC
  • Refractive Index: 1.62
  • PSA: 36.68000
  • LogP: 2.62028

3-Phenylpicolinonitrile Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

3-Phenylpicolinonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Phenylpicolinonitrile Pricemore >>

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Additional information on 3-Phenylpicolinonitrile

Comprehensive Overview of 3-Phenylpicolinonitrile (CAS No. 39065-43-5): Properties, Applications, and Industry Insights

3-Phenylpicolinonitrile (CAS No. 39065-43-5) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and material science. This nitrile-substituted picoline derivative has garnered significant attention due to its unique molecular structure, which combines a phenyl group with a picolinonitrile backbone. Researchers and industry professionals frequently search for terms like "3-Phenylpicolinonitrile synthesis", "CAS 39065-43-5 uses", and "picolinonitrile derivatives", reflecting its growing relevance in synthetic chemistry and drug development.

The compound’s molecular formula, C12H8N2, and a molar mass of 180.21 g/mol, make it a valuable intermediate in heterocyclic chemistry. Its nitrile functional group enables diverse chemical transformations, such as hydrolysis to carboxylic acids or reduction to primary amines, which are critical for designing bioactive molecules. Recent trends in green chemistry have also spurred interest in eco-friendly synthesis routes for 3-Phenylpicolinonitrile, aligning with global sustainability goals.

In the pharmaceutical sector, 3-Phenylpicolinonitrile serves as a key precursor for kinase inhibitors and anticancer agents. Its structural motif is found in several drug candidates targeting tyrosine kinases, a hot topic in oncology research. Searches for "nitrile-based pharmaceuticals" and "39065-43-5 drug intermediates" highlight its role in modern medicinal chemistry. Additionally, its thermal stability and electron-withdrawing properties make it suitable for OLED materials and organic semiconductors, addressing demands in the electronics industry.

Analytical characterization of CAS 39065-43-5 typically involves techniques like HPLC, NMR spectroscopy, and mass spectrometry, ensuring high purity for industrial applications. Regulatory compliance, such as REACH and FDA guidelines, is another frequent query, emphasizing the need for standardized production protocols. With the rise of AI-driven drug discovery, computational studies on 3-Phenylpicolinonitrile derivatives have also gained traction, optimizing its use in virtual screening pipelines.

In summary, 3-Phenylpicolinonitrile (CAS No. 39065-43-5) bridges multiple scientific disciplines, from life sciences to advanced materials. Its adaptability to catalytic reactions and compatibility with high-throughput synthesis methods position it as a cornerstone in innovation-driven industries. As research evolves, this compound is poised to play a pivotal role in addressing challenges like drug resistance and energy-efficient technologies.

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