Cas no 112809-54-8 (4-(Imidazol-1-ylmethyl)benzonitrile)

4-(Imidazol-1-ylmethyl)benzonitrile is a versatile organic compound featuring both an imidazole and benzonitrile moiety, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The imidazole ring offers coordination sites for metal complexes, while the benzonitrile group enhances reactivity for further functionalization. This compound exhibits stability under standard conditions and demonstrates compatibility with a range of chemical transformations, including nucleophilic substitutions and cross-coupling reactions. Its structural features make it particularly useful in the development of biologically active molecules, such as enzyme inhibitors or ligand scaffolds. High purity grades are available to meet rigorous research and industrial requirements.
4-(Imidazol-1-ylmethyl)benzonitrile structure
112809-54-8 structure
Product Name:4-(Imidazol-1-ylmethyl)benzonitrile
CAS No:112809-54-8
MF:C11H9N3
MW:183.209261655807
MDL:MFCD08060525
CID:133641
PubChem ID:1236449
Update Time:2025-11-03

4-(Imidazol-1-ylmethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Imidazol-1-ylmethyl)benzonitrile
    • 4-(imidazol-1-ylmethyl)benzonitrile
    • Benzonitrile,4-(1H-imidazol-1-ylmethyl)-
    • 4'-cyanobenzyl-1-imidazole
    • CS-0157538
    • BDBM50008733
    • A907627
    • 1-(4-cyanobenzyl)-imidazole
    • 4-[(1H-imidazol-1-yl)methyl]benzonitrile
    • 4-((1H-imidazol-1-yl)methyl)benzonitrile
    • EN300-27485
    • BS-14392
    • FT-0736849
    • PD181531
    • DTXSID80361242
    • CHEMBL349822
    • 1-(4-cyanobenzyl)imidazole
    • 4-(Imidazol-1-ylmethyl)benzenecarbonitrile
    • SCHEMBL771716
    • Benzonitrile, 4-(1H-imidazol-1-ylmethyl)-
    • 1-(4-Cyanobenzyl)-1H-imidazole
    • 112809-54-8
    • MAT6XRA834
    • Z203971818
    • 4-Imidazol-1-ylmethyl-benzonitrile
    • CHEBI:194817
    • AKOS000117934
    • CCG-357886
    • SY167915
    • MFCD08060525
    • UNII-MAT6XRA834
    • 4-[(1-Imidazolyl)methyl]benzonitrile
    • W-204801
    • W18957
    • LUSFCTSUDCCYLQ-UHFFFAOYSA-N
    • 4-(1H-Imidazol-1-ylmethyl)benzonitrile 97%
    • STK353494
    • AQ-776/42801571
    • DB-060247
    • 4-(Imidazol-1-ylmethyl)benzonitrile
    • MDL: MFCD08060525
    • Inchi: 1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
    • InChI Key: LUSFCTSUDCCYLQ-UHFFFAOYSA-N
    • SMILES: N1(C=NC=C1)CC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 183.08000
  • Monoisotopic Mass: 183.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • 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: 1.3
  • Topological Polar Surface Area: 41.6A^2

Experimental Properties

  • Density: 1.11
  • Melting Point: 102.5-103.5
  • Boiling Point: 398°Cat760mmHg
  • Flash Point: 194.5°C
  • Refractive Index: 1.608
  • PSA: 41.61000
  • LogP: 1.80308

4-(Imidazol-1-ylmethyl)benzonitrile Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(Imidazol-1-ylmethyl)benzonitrile Pricemore >>

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abcr
AB224832-1 g
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abcr
AB224832-5 g
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4-(Imidazol-1-ylmethyl)benzonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:112809-54-8)4-(Imidazol-1-ylmethyl)benzonitrile
Order Number:A907627
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:28
Price ($):199.0/711.0

4-(Imidazol-1-ylmethyl)benzonitrile Related Literature

Additional information on 4-(Imidazol-1-ylmethyl)benzonitrile

Comprehensive Overview of 4-(Imidazol-1-ylmethyl)benzonitrile (CAS No. 112809-54-8): Properties, Applications, and Industry Insights

4-(Imidazol-1-ylmethyl)benzonitrile (CAS No. 112809-54-8) is a specialized organic compound featuring a unique molecular structure combining an imidazole ring and a benzonitrile moiety. This hybrid structure grants it versatile chemical properties, making it valuable in pharmaceutical research, material science, and agrochemical development. The compound's imidazole-1-ylmethyl group enhances its reactivity, while the cyano functionality offers opportunities for further derivatization, aligning with modern structure-activity relationship (SAR) studies.

In recent years, the demand for imidazole-based compounds like 4-(Imidazol-1-ylmethyl)benzonitrile has surged due to their role in designing kinase inhibitors and antifungal agents. Researchers frequently explore its potential in drug discovery, particularly for targeting enzyme modulation and receptor binding. Its CAS No. 112809-54-8 is often cited in patent literature, reflecting its industrial relevance. A growing trend in green chemistry has also spurred interest in optimizing its synthesis routes to reduce environmental impact.

The compound's physicochemical properties—such as moderate solubility in polar solvents and stability under ambient conditions—make it suitable for high-throughput screening (HTS) applications. Analytical techniques like HPLC and NMR are commonly employed to verify its purity, a critical factor for pharmaceutical intermediates. Users searching for "4-(Imidazol-1-ylmethyl)benzonitrile supplier" or "CAS 112809-54-8 synthesis protocol" often seek details on scalable production methods, reflecting market needs.

Beyond pharmaceuticals, 4-(Imidazol-1-ylmethyl)benzonitrile finds niche applications in advanced material synthesis, including coordination polymers and ligand design for catalysis. Its nitrile group allows covalent bonding with metal surfaces, a feature exploited in surface modification technologies. Discussions on platforms like ResearchGate highlight its utility in cross-coupling reactions, a hot topic in organic chemistry forums.

From an SEO perspective, queries such as "imidazole derivatives in drug development" or "benzonitrile applications 2024" align with this compound's profile. Addressing these trends, this article emphasizes real-world relevance while maintaining technical rigor. For instance, the rise of AI-driven molecular modeling has increased interest in small-molecule libraries containing CAS 112809-54-8, underscoring its role in computational chemistry workflows.

Quality control remains a priority for manufacturers of 4-(Imidazol-1-ylmethyl)benzonitrile. Specifications like ≥98% purity and residual solvent limits are frequently requested in procurement documents. Regulatory compliance with REACH and FDA guidelines further elevates its standing in GMP-certified supply chains. These factors contribute to its prominence in life science databases like PubChem and SciFinder.

In conclusion, 4-(Imidazol-1-ylmethyl)benzonitrile (CAS No. 112809-54-8) exemplifies the intersection of innovation and practical utility in fine chemicals. Its adaptability across biomedical and material science domains ensures sustained interest, while evolving synthetic methodologies promise expanded applications. This aligns with broader industry shifts toward sustainable and multifunctional chemical solutions.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:112809-54-8)4-(Imidazol-1-ylmethyl)benzonitrile
A907627
Purity:99%/99%
Quantity:5g/25g
Price ($):199.0/711.0
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