Cas no 1621171-15-0 (3-(4-Bromophenyl)pentanedinitrile)

3-(4-Bromophenyl)pentanedinitrile is a brominated aromatic dinitrile compound with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a 4-bromophenyl group and two nitrile functionalities, which enhance reactivity in nucleophilic and cyclization reactions. This compound is particularly useful in the synthesis of heterocyclic frameworks and as a precursor for bioactive molecules. The bromine substituent offers versatility for further functionalization via cross-coupling reactions, such as Suzuki or Heck reactions. High purity and stability under standard conditions make it a reliable reagent for research and industrial processes. Its well-defined structure ensures consistent performance in complex synthetic pathways.
3-(4-Bromophenyl)pentanedinitrile structure
1621171-15-0 structure
Product Name:3-(4-Bromophenyl)pentanedinitrile
CAS No:1621171-15-0
MF:C11H9BrN2
MW:249.106561422348
CID:4702497
Update Time:2025-05-19

3-(4-Bromophenyl)pentanedinitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-bromophenyl)pentanedinitrile
    • 3-(4-Bromophenyl)pentanedinitrile
    • Inchi: 1S/C11H9BrN2/c12-11-3-1-9(2-4-11)10(5-7-13)6-8-14/h1-4,10H,5-6H2
    • InChI Key: VHFNFMSUKFPLHR-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C(CC#N)CC#N

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 244
  • XLogP3: 2
  • Topological Polar Surface Area: 47.6

3-(4-Bromophenyl)pentanedinitrile Pricemore >>

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Additional information on 3-(4-Bromophenyl)pentanedinitrile

Comprehensive Overview of 3-(4-Bromophenyl)pentanedinitrile (CAS No. 1621171-15-0)

3-(4-Bromophenyl)pentanedinitrile (CAS No. 1621171-15-0) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring a 4-bromophenyl group and dual nitrile functionalities, makes it a versatile building block for constructing complex molecules. This compound has garnered significant attention due to its potential applications in drug discovery, particularly in the development of kinase inhibitors and other bioactive molecules.

The growing demand for high-purity nitrile derivatives in the chemical industry has positioned 3-(4-Bromophenyl)pentanedinitrile as a valuable synthetic target. Researchers frequently search for "synthesis of 4-bromophenyl dinitriles" or "CAS 1621171-15-0 applications," reflecting its relevance in modern organic chemistry. Recent studies highlight its role in cross-coupling reactions, where the bromine atom serves as an excellent leaving group for palladium-catalyzed transformations.

From an environmental perspective, the compound's stability and low volatility align with the industry's shift toward green chemistry principles. Many users inquire about "biodegradable nitrile compounds" or "sustainable bromoarene derivatives," indicating a market preference for eco-friendly alternatives. While 3-(4-Bromophenyl)pentanedinitrile itself isn't classified as hazardous, proper handling protocols should always be followed in laboratory settings.

In material science, this compound demonstrates intriguing properties for organic electronic applications. Its conjugated system and electron-withdrawing nitrile groups make it a candidate for developing organic semiconductors or nonlinear optical materials. These characteristics have sparked searches for "nitrile-based functional materials" and "bromophenyl derivatives in OLEDs," connecting academic research with industrial innovation.

The synthetic versatility of 3-(4-Bromophenyl)pentanedinitrile allows for numerous modifications, addressing frequent queries about "selective nitrile reduction methods" and "bromophenyl compound functionalization." Chemists can transform the nitrile groups into amides, carboxylic acids, or heterocycles, while the aromatic bromine enables diverse coupling reactions. This adaptability makes it particularly valuable for combinatorial chemistry and high-throughput screening approaches.

Analytical characterization of this compound typically involves advanced techniques such as HPLC, NMR spectroscopy, and mass spectrometry, topics frequently searched alongside the CAS number. The bromine isotope pattern in mass spectra provides a distinctive fingerprint, while the 13C NMR clearly distinguishes between the aliphatic and aromatic carbon environments. These analytical features support quality control in commercial production.

Market trends show increasing interest in custom chemical synthesis services for derivatives of 3-(4-Bromophenyl)pentanedinitrile, particularly from pharmaceutical companies exploring novel drug candidates. The compound's structural features appear in several patent applications related to anticancer agents and CNS-targeting molecules, though specific therapeutic uses remain under investigation. This has led to growing searches for "pharmaceutical uses of bromophenyl dinitriles" across scientific databases.

From a regulatory standpoint, the compound falls under standard chemical handling guidelines without special restrictions. However, manufacturers and researchers should stay updated on evolving regulations concerning brominated organic compounds and nitrile-containing substances. Proper documentation including SDS (Safety Data Sheets) should always accompany transactions, a requirement frequently searched by procurement specialists.

Future research directions may explore the compound's potential in catalysis or as a ligand precursor in coordination chemistry. The simultaneous presence of soft (bromine) and hard (nitrile) functional groups offers interesting possibilities for designing multifunctional catalysts. Such applications would align with current searches for "versatile organic building blocks" and "polyfunctional intermediates" in synthetic chemistry.

In conclusion, 3-(4-Bromophenyl)pentanedinitrile (CAS No. 1621171-15-0) represents an important structural motif in modern organic synthesis. Its balanced reactivity profile, combined with the growing demand for functionalized aromatics and nitrile compounds, ensures its continued relevance across multiple scientific disciplines. As research progresses, new applications will likely emerge, further solidifying its position as a valuable chemical entity in both academic and industrial settings.

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