Cas no 2208-59-5 (2-(pyridin-4-yl)-1H-1,3-benzodiazole)

2-(Pyridin-4-yl)-1H-1,3-benzodiazole is a heterocyclic compound featuring a benzodiazole core linked to a pyridinyl group at the 2-position. This structure imparts unique electronic and coordination properties, making it valuable in coordination chemistry and materials science. The compound exhibits strong π-conjugation, enhancing its utility as a ligand for transition metals, particularly in catalytic and photophysical applications. Its rigid, planar geometry promotes stable complex formation, while the nitrogen-rich framework allows for tunable binding modes. Additionally, the pyridinyl moiety introduces further functionalization potential, enabling tailored modifications for specific applications. This compound is of interest in the development of luminescent materials, sensors, and organometallic catalysts due to its robust and versatile structural characteristics.
2-(pyridin-4-yl)-1H-1,3-benzodiazole structure
2208-59-5 structure
Product Name:2-(pyridin-4-yl)-1H-1,3-benzodiazole
CAS No:2208-59-5
MF:C12H9N3
MW:195.219961881638
MDL:MFCD00453948
CID:259935
PubChem ID:247634
Update Time:2025-11-06

2-(pyridin-4-yl)-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 2-(Pyridin-4-yl)-1H-benzo[d]imidazole
    • 2-(4-Pyridyl)benzimidazole
    • 1H-Benzimidazole,2-(4-pyridinyl)-
    • 2-(4-pyridinyl)-1H-Benzimidazole
    • 2-pyridin-4-yl-1H-benzimidazole
    • 2-Pyridin-4-yl-1H-benzoimidazole
    • 2-(pyridin-4-yl)-1h-benzimidazole
    • 2-(pyridin-4-yl)-1H-1,3-benzodiazole
    • MLS000736695
    • MLS000709114
    • 2-(4-pyridyl)-1H-benzimidazole
    • UYWWLYCGNNCLKE-UHFFFAOYSA-N
    • SMR000282981
    • NSC62609
    • Cambridge id 5231114
    • NCIOpen2_000009
    • Oprea1_792619
    • Oprea1_021863
    • cid_247634
    • 2-(4-pyridinyl)-benzimidazole
    • BDBM557
    • P1658
    • F0191-4540
    • YSWG076
    • AKOS000275319
    • 2H-Benzimidazole,2-(4(1H)-pyridinylidene)-(9CI)
    • SCHEMBL695990
    • Benzimidazole, 2-(4-pyridinyl)-
    • EN300-16229
    • AS-63158
    • BB 0219594
    • FT-0740218
    • Z50129789
    • NSC-62609
    • SY051172
    • SR-01000391502-1
    • 2-Benzimidazole
    • SR-01000391502
    • 2-(4-Pyridinyl)-1H-benzimidazole #
    • 2-(Pyridin-4(1H)-ylidene)-2H-benzo[d]imidazole
    • 176964-61-7
    • HMS2691B22
    • BDBM55759
    • CHEMBL379376
    • D92142
    • MFCD00453948
    • AE-848/30862035
    • 2208-59-5
    • DTXSID80289654
    • CS-0073067
    • DB-270266
    • 2H-BENZIMIDAZOLE, 2-(4(1H)-PYRIDINYLIDENE)-
    • STK727086
    • DA-20879
    • 1H-Benzimidazole, 2-(4-pyridinyl)-
    • ALBB-017633
    • MDL: MFCD00453948
    • Inchi: 1S/C12H9N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
    • InChI Key: UYWWLYCGNNCLKE-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CN=CC=2)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 195.08000
  • Monoisotopic Mass: 195.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 213
  • 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: 2
  • XLogP3: 2.2
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.27
  • Melting Point: 216.0 to 220.0 deg-C
  • Boiling Point: 438.1°Cat760mmHg
  • Flash Point: 212.2°C
  • Refractive Index: 1.699
  • PSA: 41.57000
  • LogP: 2.62490
  • Solubility: Not determined

2-(pyridin-4-yl)-1H-1,3-benzodiazole Security Information

2-(pyridin-4-yl)-1H-1,3-benzodiazole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-(pyridin-4-yl)-1H-1,3-benzodiazole Related Literature

Additional information on 2-(pyridin-4-yl)-1H-1,3-benzodiazole

Comprehensive Overview of 2-(Pyridin-4-yl)-1H-1,3-benzodiazole (CAS No. 2208-59-5): Properties, Applications, and Research Insights

2-(Pyridin-4-yl)-1H-1,3-benzodiazole, identified by its CAS number 2208-59-5, is a heterocyclic compound that has garnered significant attention in pharmaceutical and materials science research. This compound, often referred to as a pyridine-benzodiazole derivative, exhibits unique structural features that make it valuable for diverse applications, including drug development, organic electronics, and fluorescence-based sensors. Its molecular framework combines a pyridine ring with a benzodiazole moiety, offering tunable electronic properties and binding affinities.

In recent years, the demand for heterocyclic compounds like 2-(pyridin-4-yl)-1H-1,3-benzodiazole has surged due to their role in designing small-molecule inhibitors and photovoltaic materials. Researchers are particularly interested in its potential as a fluorescent probe for biological imaging, leveraging its stable emission characteristics. Additionally, its ligand properties make it a candidate for metal-organic frameworks (MOFs), a trending topic in nanotechnology and sustainable chemistry.

The synthesis of CAS 2208-59-5 typically involves condensation reactions between 4-pyridinecarboxaldehyde and o-phenylenediamine, followed by oxidative cyclization. This process highlights the compound's adaptability for scalable production, a key consideration for industrial applications. Analytical techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its purity, which is critical for reproducibility in research.

From a pharmacological perspective, 2-(pyridin-4-yl)-1H-1,3-benzodiazole has been explored for its kinase inhibitory activity, aligning with the growing interest in targeted cancer therapies. Its ability to modulate protein-protein interactions also positions it as a promising scaffold for neurodegenerative disease research, a hot topic in 2024 due to rising global health concerns.

Environmental and safety profiles of 2208-59-5 are equally important. Studies indicate low acute toxicity, but proper handling protocols are recommended to avoid inhalation or skin contact. Its stability under ambient conditions makes it suitable for long-term storage, a practical advantage for laboratories.

In summary, 2-(pyridin-4-yl)-1H-1,3-benzodiazole (CAS 2208-59-5) represents a versatile compound bridging multiple scientific disciplines. Its applications span from biomedical research to advanced materials, reflecting the compound's adaptability to cutting-edge innovations. As interdisciplinary research grows, this compound is poised to play a pivotal role in addressing contemporary scientific challenges.

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