Cas no 124276-75-1 (1-(2-Bromophenyl)cyclopropanecarbonitrile)

1-(2-Bromophenyl)cyclopropanecarbonitrile structure
124276-75-1 structure
Product Name:1-(2-Bromophenyl)cyclopropanecarbonitrile
CAS No:124276-75-1
MF:C10H8BrN
MW:222.081221580505
MDL:MFCD07374407
CID:857399
PubChem ID:20026168
Update Time:2025-07-16

1-(2-Bromophenyl)cyclopropanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromophenyl)cyclopropanecarbonitrile
    • 1-(21-(2-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE
    • 1-(2-Bromophenyl)-1-cyanocyclopropane-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE
    • 1-(2-bromophenyl)cyclopropane-1-carbonitrile
    • 1-(2-Bromophenyl)-1-cyanocyclopropane
    • 1-(2-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE
    • 124276-75-1
    • QGRRKIFTSXBLNX-UHFFFAOYSA-N
    • SCHEMBL6898
    • CS-0088393
    • MFCD07374407
    • EN300-152374
    • DTXSID60601774
    • Z1020847928
    • Cyclopropanecarbonitrile, 1-(2-bromophenyl)-
    • SY152440
    • AS-41479
    • DB-362719
    • ZEA27675
    • AB39386
    • AKOS012126346
    • MDL: MFCD07374407
    • Inchi: 1S/C10H8BrN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-6H2
    • InChI Key: QGRRKIFTSXBLNX-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1C1(C#N)CC1

Computed Properties

  • Exact Mass: 220.98400
  • Monoisotopic Mass: 220.98401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 2.6
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.00428

1-(2-Bromophenyl)cyclopropanecarbonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 1-(2-Bromophenyl)cyclopropanecarbonitrile

Recent Advances in the Study of 1-(2-Bromophenyl)cyclopropanecarbonitrile (CAS: 124276-75-1) in Chemical Biology and Pharmaceutical Research

The compound 1-(2-Bromophenyl)cyclopropanecarbonitrile (CAS: 124276-75-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research briefing aims to provide a comprehensive overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential as a lead molecule in drug discovery.

Recent studies have highlighted the versatility of 1-(2-Bromophenyl)cyclopropanecarbonitrile as a key intermediate in the synthesis of various bioactive molecules. Its cyclopropane ring and bromophenyl moiety make it an attractive scaffold for the development of novel compounds with potential anti-inflammatory, anticancer, and antimicrobial properties. Researchers have employed advanced synthetic methodologies, including transition metal-catalyzed cross-coupling reactions, to further functionalize this compound and explore its pharmacological potential.

In a groundbreaking study published in the Journal of Medicinal Chemistry, scientists demonstrated that derivatives of 1-(2-Bromophenyl)cyclopropanecarbonitrile exhibit potent inhibitory activity against specific kinase targets implicated in cancer progression. The study utilized a combination of molecular docking simulations and in vitro assays to elucidate the structure-activity relationship (SAR) of these derivatives, providing valuable insights for future drug design efforts.

Another significant development involves the application of 1-(2-Bromophenyl)cyclopropanecarbonitrile in the synthesis of novel PET (positron emission tomography) radiotracers. Researchers have successfully incorporated this compound into radiolabeled probes for imaging studies, demonstrating its potential in diagnostic applications. The unique physicochemical properties of the molecule, including its lipophilicity and metabolic stability, make it particularly suitable for such applications.

From a safety and toxicological perspective, recent investigations have focused on the metabolic fate of 1-(2-Bromophenyl)cyclopropanecarbonitrile in biological systems. Studies using liver microsomes and hepatocyte models have identified the major metabolic pathways, providing crucial information for future preclinical development. These findings are particularly relevant given the increasing interest in this compound as a potential drug candidate.

The pharmaceutical industry has shown growing interest in 1-(2-Bromophenyl)cyclopropanecarbonitrile, with several companies filing patents related to its derivatives and applications. This commercial interest underscores the compound's potential value in drug discovery pipelines. However, challenges remain in optimizing its pharmacokinetic properties and target selectivity, areas that are currently the focus of ongoing research.

In conclusion, 1-(2-Bromophenyl)cyclopropanecarbonitrile (CAS: 124276-75-1) represents a promising chemical entity with diverse applications in medicinal chemistry and pharmaceutical research. The recent advances in its study highlight its potential as a versatile building block for drug discovery and as a tool compound for biological investigations. Future research directions likely include further exploration of its therapeutic potential, optimization of its drug-like properties, and expansion of its applications in chemical biology.

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