Cas no 64695-82-5 (2-Bromo-4,5-difluorobenzonitrile)

2-Bromo-4,5-difluorobenzonitrile is a fluorinated aromatic compound featuring both bromine and nitrile functional groups, making it a versatile intermediate in organic synthesis. Its distinct substitution pattern enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the electron-withdrawing nitrile and fluorine groups facilitate further functionalization. This compound is particularly valuable in pharmaceutical and agrochemical research, where precise halogenated building blocks are required for structure-activity studies. High purity grades ensure consistent performance in demanding applications. Its stability under standard conditions and compatibility with diverse reaction conditions further underscore its utility in advanced synthetic workflows.
2-Bromo-4,5-difluorobenzonitrile structure
64695-82-5 structure
Product Name:2-Bromo-4,5-difluorobenzonitrile
CAS No:64695-82-5
MF:C7H2BrF2N
MW:217.998287677765
MDL:MFCD09864661
CID:501136
PubChem ID:19261277
Update Time:2025-11-02

2-Bromo-4,5-difluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4,5-difluorobenzonitrile
    • Benzonitrile,2-bromo-4,5-difluoro-
    • 2-Brom-4,5-difluorbenzonitril
    • 2-bromo-4,5-difluorobenzenecarbonitrile
    • Benzonitrile, 2-bromo-4,5-difluoro-
    • PubChem18456
    • KSC495A4F
    • YHOIAMUAYXTORN-UHFFFAOYSA-N
    • 2-Bromo-4,5-Difluoro benzonitrile
    • SBB063656
    • PC1369
    • DT1930
    • RP27081
    • FCH1327231
    • TF10097
    • AS04684
    • MFCD09864661
    • DS-12815
    • CS-W003671
    • Z1269242016
    • EN300-210950
    • DTXSID00598215
    • 2-bromo-4,5-difluoro-benzonitrile
    • FT-0658946
    • J-508259
    • AKOS005215800
    • 2-Bromo-4,5-difluorobenzonitrile, AldrichCPR
    • AS-813/43501754
    • SCHEMBL2713149
    • A1758
    • AM20060002
    • CHEMBL4929581
    • SY018585
    • 64695-82-5
    • DB-030821
    • MDL: MFCD09864661
    • Inchi: 1S/C7H2BrF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
    • InChI Key: YHOIAMUAYXTORN-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=CC=1C#N)F)F

Computed Properties

  • Exact Mass: 216.93400
  • Monoisotopic Mass: 216.93387g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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
  • Topological Polar Surface Area: 23.8
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.774
  • Melting Point: 63-64℃
  • Boiling Point: 255.544°C at 760 mmHg
  • Flash Point: 108.349°C
  • Refractive Index: 1.552
  • PSA: 23.79000
  • LogP: 2.59898

2-Bromo-4,5-difluorobenzonitrile Security Information

  • Hazardous Material transportation number:3439
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:

2-Bromo-4,5-difluorobenzonitrile 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%

2-Bromo-4,5-difluorobenzonitrile Pricemore >>

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B689713-100mg
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$ 64.00 2023-04-18
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B689713-250mg
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$ 75.00 2023-04-18
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B689713-500mg
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2-Bromo-4,5-difluorobenzonitrile Production Method

2-Bromo-4,5-difluorobenzonitrile Suppliers

Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:64695-82-5)
Order Number:SFD871
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
Price ($):

Additional information on 2-Bromo-4,5-difluorobenzonitrile

2-Bromo-4,5-difluorobenzonitrile (CAS No. 64695-82-5): Properties, Applications, and Market Insights

2-Bromo-4,5-difluorobenzonitrile (CAS No. 64695-82-5) is a specialized organic compound widely used in pharmaceutical and agrochemical research. This halogenated benzonitrile derivative is gaining attention due to its unique chemical properties and versatility in synthetic applications. With the increasing demand for fluorinated compounds in drug discovery, 2-bromo-4,5-difluorobenzonitrile has become a valuable building block for medicinal chemists.

The molecular structure of 2-Bromo-4,5-difluorobenzonitrile features a bromine atom at the 2-position and fluorine atoms at the 4- and 5-positions of the benzene ring, with a nitrile group completing the substitution pattern. This specific arrangement contributes to its electron-withdrawing properties and makes it particularly useful in cross-coupling reactions, which are fundamental in modern organic synthesis. Recent studies highlight its role in developing novel heterocyclic compounds with potential biological activity.

In pharmaceutical applications, 2-bromo-4,5-difluorobenzonitrile CAS 64695-82-5 serves as a key intermediate for the synthesis of various active pharmaceutical ingredients (APIs). Its structural features make it particularly valuable in the development of kinase inhibitors and central nervous system (CNS) drugs. The compound's ability to participate in palladium-catalyzed reactions has made it popular in the synthesis of complex molecules targeting various disease pathways.

The agrochemical industry also benefits from 2-Bromo-4,5-difluorobenzonitrile, where it's used in the development of new-generation pesticides and herbicides. The fluorine atoms in its structure enhance the bioavailability and metabolic stability of resulting compounds, addressing the growing need for more effective crop protection solutions. This aligns with current agricultural trends focusing on sustainable pest management and reduced environmental impact.

From a synthetic chemistry perspective, 64695-82-5 offers several advantages. The compound demonstrates excellent stability under various reaction conditions, making it suitable for multi-step syntheses. Its crystalline nature allows for easy purification, while the distinct 1H NMR signals of its aromatic protons facilitate reaction monitoring. These characteristics answer common questions from researchers about handling and application of this intermediate.

The market for 2-bromo-4,5-difluorobenzonitrile has shown steady growth, driven by increasing R&D activities in pharmaceutical and agrochemical sectors. Suppliers have reported rising demand for this high-purity chemical intermediate, particularly from contract research organizations and academic institutions. Current market analysis suggests that the compound's applications in fluorinated drug development will continue to expand, especially in areas like oncology and CNS disorders.

Quality control aspects of 2-Bromo-4,5-difluorobenzonitrile CAS No. 64695-82-5 are crucial for its successful application. Reputable manufacturers typically provide comprehensive analytical data including HPLC purity, melting point, and spectroscopic characterization. These specifications address common concerns among researchers about compound quality and batch-to-batch consistency, which are critical for reproducible results in synthetic applications.

Environmental and safety considerations for 2-bromo-4,5-difluorobenzonitrile follow standard laboratory chemical handling protocols. While not classified as highly hazardous, proper personal protective equipment should be used when handling this compound. Storage recommendations typically include keeping the material in a cool, dry place away from strong oxidizers, addressing common queries about material stability and shelf life.

Future research directions involving 64695-82-5 may explore its potential in emerging areas like PET radiopharmaceuticals or fluorescent probes. The compound's structural features make it suitable for incorporation into various molecular imaging agents, aligning with current trends in diagnostic and theranostic applications. This potential answers growing interest in multifunctional chemical building blocks for biomedical applications.

For researchers considering 2-bromo-4,5-difluorobenzonitrile synthesis, several published routes are available, with variations in yield and purity. The most common methods involve halogenation reactions of appropriate difluorobenzonitrile precursors. Recent literature has focused on optimizing these processes for scale-up and green chemistry principles, reflecting the industry's move toward more sustainable synthetic methods.

In conclusion, 2-Bromo-4,5-difluorobenzonitrile (CAS 64695-82-5) represents an important chemical tool with diverse applications in medicinal chemistry and material science. Its unique combination of halogen substituents and nitrile functionality provides synthetic flexibility that continues to attract research interest. As the demand for fluorinated compounds grows across multiple industries, this specialized intermediate is likely to maintain its relevance in chemical research and development.

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Jiangsu Xinsu New Materials Co., Ltd
(CAS:64695-82-5)
SFD871
Purity:99%
Quantity:25KG,200KG,1000KG
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