Cas no 13060-24-7 (2-Octyl-1H-benzimidazole)

2-Octyl-1H-benzimidazole is a benzimidazole derivative characterized by an octyl substituent at the 2-position, enhancing its lipophilicity and stability. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features contribute to improved solubility in nonpolar solvents, making it suitable for applications requiring hydrophobic interactions. The benzimidazole core offers potential biological activity, including antimicrobial and antifungal properties, though specific efficacy depends on further functionalization. The octyl chain may also influence self-assembly properties, relevant in material science. Handling should adhere to standard safety protocols for organic compounds.
2-Octyl-1H-benzimidazole structure
2-Octyl-1H-benzimidazole structure
Product Name:2-Octyl-1H-benzimidazole
CAS No:13060-24-7
MF:C15H22N2
MW:230.348583698273
MDL:MFCD00441310
CID:49004
PubChem ID:1713139
Update Time:2025-10-13

2-Octyl-1H-benzimidazole Chemical and Physical Properties

Names and Identifiers

    • 2-Octylbenzimidazole
    • 2-Octyl-1H-benzimidazole
    • 1H-Benzimidazole,2-octyl
    • 2-Octyl-1H-benzimidazol
    • 2-octyl-1H-benzoimidazole
    • 2-Octyl-benzimidazol
    • Octylbenzimidazol
    • 2-Octylbenzoimidazol
    • 1H-BenziMidazole,2-octyl-
    • 2-octyl-1H-benzo[d]imidazole
    • 2-octylbenzIMIDAZOLE:2-octyl-1h-benzIMIDAZOLE
    • AKOS000635033
    • BDBM50404938
    • MFCD00441310
    • DTXSID80364859
    • E76409
    • 1H-Benzimidazole, 2-octyl-
    • FT-0656319
    • CS-0152263
    • 13060-24-7
    • SCHEMBL2951078
    • A806109
    • BRD-K94294699-001-01-5
    • BS-14959
    • 2-octyl-1H-1,3-benzodiazole
    • octylbenzimidazole
    • CHEMBL170771
    • STL300752
    • ALBB-036495
    • IRMWQHINYNTMNS-UHFFFAOYSA-N
    • DB-062764
    • MDL: MFCD00441310
    • Inchi: 1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
    • InChI Key: IRMWQHINYNTMNS-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2N=C1CCCCCCCC

Computed Properties

  • Exact Mass: 230.17800
  • Monoisotopic Mass: 230.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 205
  • 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: 5.2
  • Topological Polar Surface Area: 28.7A^2

Experimental Properties

  • Density: 1.014
  • Melting Point: 144 oC
  • Boiling Point: 404 oC
  • Flash Point: 198 oC
  • Refractive Index: 1.565
  • PSA: 28.68000
  • LogP: 4.46590

2-Octyl-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%

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2-Octyl-1H-benzimidazole Suppliers

Amadis Chemical Company Limited
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(CAS:13060-24-7)2-Octyl-1H-benzimidazole
Order Number:A806109
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:05
Price ($):404.0

Additional information on 2-Octyl-1H-benzimidazole

2-Octyl-1H-Benzimidazole: A Comprehensive Overview

The compound with CAS No. 13060-24-7, commonly referred to as 2-Octyl-1H-benzimidazole, is a heterocyclic aromatic compound that has garnered significant attention in various scientific and industrial domains. This molecule is characterized by its unique structure, which combines a benzene ring fused with an imidazole ring, substituted with an octyl group at the 2-position. The benzimidazole core is known for its versatility and reactivity, making it a valuable component in numerous applications.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 2-Octyl-1H-benzimidazole through various methods, including condensation reactions and coupling techniques. These methods have not only improved the yield but also enhanced the purity of the compound, making it more accessible for large-scale production. The substitution of the octyl group at the 2-position introduces unique electronic and steric properties to the molecule, which are crucial for its functional applications.

In materials science, 2-Octyl-1H-benzimidazole has been explored as a potential building block for advanced materials such as organic semiconductors and sensors. Its ability to form self-assembled monolayers (SAMs) has been leveraged in the development of high-performance electronic devices. Recent studies have demonstrated that the octyl substitution enhances the molecule's stability and compatibility with various substrates, making it a promising candidate for next-generation technologies.

The biological applications of 2-Octyl-1H-benzimidazole are equally compelling. Research has shown that this compound exhibits moderate antimicrobial activity against a range of pathogens, including bacteria and fungi. This property has led to its investigation as a potential ingredient in pharmaceutical formulations and personal care products. Furthermore, ongoing studies are exploring its role as a bioactive agent in drug delivery systems, where its ability to interact with biological membranes could be harnessed for targeted drug release.

In the field of catalysis, 2-Octyl-1H-benzimidazole has been utilized as a ligand in transition metal complexes, enhancing their catalytic efficiency in various reactions such as oxidation and cycloaddition processes. The steric bulk introduced by the octyl group plays a critical role in stabilizing the metal centers and modulating their reactivity. Recent breakthroughs in asymmetric catalysis have highlighted the potential of this compound in producing enantioselective products, which are highly valued in pharmaceutical synthesis.

The environmental impact of 2-Octyl-1H-benzimidazole is another area of active research. Studies have been conducted to assess its biodegradability and toxicity under different environmental conditions. Preliminary results suggest that the compound exhibits moderate biodegradability under aerobic conditions, which is encouraging for its sustainable use in industrial applications. However, further research is required to fully understand its long-term ecological effects.

From a structural perspective, benzimidazole derivatives like 2-Octyl-1H-benzimidazole are known for their ability to form hydrogen bonds and engage in π–π interactions. These properties make them ideal candidates for supramolecular chemistry applications, such as the construction of molecular assemblies and crystals with tailored physical properties. Recent advances in crystal engineering have utilized these characteristics to design materials with enhanced optical and mechanical properties.

In conclusion, 2-Octyl-1H-benzimidazole (CAS No. 13060-24-7) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application development, positions it as a key player in both academic research and industrial innovation. As ongoing studies continue to uncover new functionalities and optimize its performance, this compound is poised to make significant contributions to fields ranging from materials science to biotechnology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:13060-24-7)2-Octyl-1H-benzimidazole
A806109
Purity:99%
Quantity:100g
Price ($):404.0
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