Cas no 5465-30-5 (1-Butyl-1H-benzimidazole)

1-Butyl-1H-benzimidazole is a heterocyclic organic compound featuring a benzimidazole core substituted with a butyl group at the 1-position. This structure imparts notable chemical stability and versatility, making it valuable in pharmaceutical and agrochemical synthesis. Its lipophilic butyl chain enhances solubility in organic solvents, facilitating its use as an intermediate in the development of bioactive molecules. The compound exhibits strong coordination properties, useful in catalysis and material science applications. Its rigid benzimidazole framework contributes to thermal and oxidative resistance, ensuring reliability in high-performance applications. 1-Butyl-1H-benzimidazole is also employed in corrosion inhibition and as a ligand in metal-organic frameworks (MOFs).
1-Butyl-1H-benzimidazole structure
1-Butyl-1H-benzimidazole structure
Product Name:1-Butyl-1H-benzimidazole
CAS No:5465-30-5
MF:C11H15ClN2
MW:210.703201532364
CID:45921
PubChem ID:17885733
Update Time:2025-06-13

1-Butyl-1H-benzimidazole Chemical and Physical Properties

Names and Identifiers

    • 1-Butyl-1H-benzo[d]imidazole hydrochloride
    • 1-BUTYLBENZOIMIDAZOLE
    • 1-butyl-1H-1,3-benzodiazole
    • 1-Butyl-1H-benzimidazole hydrochloride
    • 1-butylbenzimidazole;hydrochloride
    • NSC-28963
    • NSC28963
    • 5465-30-5
    • DB-328886
    • 1-Butyl-1H-benzimidazole
    • MDL: MFCD00464045
    • Inchi: 1S/C11H14N2.ClH/c1-2-3-8-13-9-12-10-6-4-5-7-11(10)13;/h4-7,9H,2-3,8H2,1H3;1H
    • InChI Key: RYRHKHOZMNMZNV-UHFFFAOYSA-N
    • SMILES: Cl.N1(C=NC2C=CC=CC1=2)CCCC

Computed Properties

  • Exact Mass: 174.11600
  • Monoisotopic Mass: 210.092
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 158
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.8A^2

Experimental Properties

  • Density: 1.04
  • Boiling Point: 296.9 °C at 760 mmHg
  • Flash Point: 133.4 °C
  • Refractive Index: 1.571
  • PSA: 17.82000
  • LogP: 2.83640

1-Butyl-1H-benzimidazole 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%

1-Butyl-1H-benzimidazole Pricemore >>

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Additional information on 1-Butyl-1H-benzimidazole

Comprehensive Guide to 1-Butyl-1H-benzimidazole (CAS No. 5465-30-5): Properties, Applications, and Industry Insights

1-Butyl-1H-benzimidazole (CAS No. 5465-30-5) is a versatile organic compound belonging to the benzimidazole family. This heterocyclic compound has garnered significant attention in recent years due to its unique chemical properties and broad applicability across industries. With the rise of green chemistry and sustainable materials, researchers are increasingly exploring derivatives like 1-Butyl-1H-benzimidazole as potential alternatives to traditional synthetic intermediates.

The molecular structure of 1-Butyl-1H-benzimidazole features a benzene ring fused with an imidazole ring, substituted with a butyl group at the 1-position. This configuration contributes to its moderate polarity and excellent thermal stability, making it valuable for various high-temperature applications. Recent studies published in ACS Sustainable Chemistry & Engineering highlight its potential as a corrosion inhibitor in industrial systems, addressing growing concerns about metal degradation in harsh environments.

In the pharmaceutical sector, 1-Butyl-1H-benzimidazole serves as a crucial building block for drug discovery. The benzimidazole scaffold is known for its bioactive properties, appearing in numerous FDA-approved medications. While this specific derivative isn't itself a drug, its structural features make it valuable for developing targeted therapies, particularly in the context of antimicrobial resistance – a top global health concern according to WHO reports.

Material scientists have explored 5465-30-5 for advanced applications in organic electronics. Its conjugated system and ability to coordinate with metals make it promising for OLED technologies and conductive polymers. With the flexible electronics market projected to reach $87 billion by 2027 (MarketsandMarkets data), compounds like 1-Butyl-1H-benzimidazole are gaining traction as potential components in next-generation wearable devices and smart materials.

The synthesis of 1-Butyl-1H-benzimidazole typically involves condensation reactions between o-phenylenediamine derivatives and butyl-containing precursors. Modern flow chemistry techniques have improved the efficiency of this process, reducing waste and energy consumption – key considerations in today's eco-conscious manufacturing landscape. Analytical characterization commonly employs HPLC, NMR spectroscopy, and mass spectrometry to ensure purity and confirm structural integrity.

Environmental considerations surrounding benzimidazole compounds have become increasingly important. Recent lifecycle assessments suggest that proper handling and disposal of 1-Butyl-1H-benzimidazole can minimize ecological impact. The compound's biodegradability profile and potential for green synthesis pathways align with the principles of circular economy, making it an attractive subject for green chemistry research initiatives worldwide.

From a commercial perspective, the global market for benzimidazole derivatives continues to expand, driven by demand from pharmaceutical intermediates and specialty chemicals sectors. 1-Butyl-1H-benzimidazole occupies a niche position in this market, with suppliers offering various purity grades (typically 95-99%) to meet diverse application requirements. Quality control measures have become more stringent in response to growing emphasis on supply chain transparency and material traceability.

Emerging research directions for 5465-30-5 include exploration as a ligand in catalysis and potential applications in energy storage systems. The compound's electron-rich structure shows promise for developing more efficient redox flow batteries, addressing critical needs in renewable energy integration. These developments position 1-Butyl-1H-benzimidazole as a compound of interest in the transition toward carbon-neutral technologies.

Safety considerations for handling 1-Butyl-1H-benzimidazole follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment (PPE) including gloves and safety glasses is recommended. Storage typically requires protection from moisture and extreme temperatures to maintain stability, with many suppliers recommending argon-filled containers for long-term preservation of sensitive batches.

The future outlook for 1-Butyl-1H-benzimidazole appears promising, particularly as interdisciplinary research uncovers novel applications. Its combination of structural versatility and tunable properties makes it a valuable tool for chemists working in materials science, medicinal chemistry, and industrial applications. As synthetic methodologies advance and characterization techniques improve, we can expect to see expanded utilization of this compound in cutting-edge technologies addressing global challenges.

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