Cas no 884495-47-0 (1-Bromo-3,4-difluoro-2-nitrobenzene)

1-Bromo-3,4-difluoro-2-nitrobenzene is a halogenated nitroaromatic compound with the molecular formula C?H?BrF?NO?. This intermediate is characterized by its distinct substitution pattern, featuring bromine, fluorine, and nitro functional groups on the benzene ring, which enhance its reactivity in electrophilic and nucleophilic aromatic substitution reactions. Its structural properties make it valuable in pharmaceutical and agrochemical synthesis, particularly in the development of fluorinated active ingredients. The compound's high purity and stability under controlled conditions ensure consistent performance in cross-coupling reactions and other transformations. Careful handling is advised due to its potential toxicity and sensitivity to light and moisture.
1-Bromo-3,4-difluoro-2-nitrobenzene structure
884495-47-0 structure
Product Name:1-Bromo-3,4-difluoro-2-nitrobenzene
CAS No:884495-47-0
MF:C6H2BrF2NO2
MW:237.986387729645
MDL:MFCD03840797
CID:1927546
PubChem ID:24728632
Update Time:2025-10-31

1-Bromo-3,4-difluoro-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-3,4-difluoro-2-nitro-benzene
    • 1-Bromo-3,4-difluoro-2-nitrobenzene
    • 2-Nitro-3,4-difluoro bromobenzene
    • benzene, 1-bromo-3,4-difluoro-2-nitro-
    • LogP
    • 2-NITRO-3,4-DIFLUORO-BROMOBENZENE
    • PC53041
    • FCH1335479
    • AK210146
    • 1-Bromo-3,4-difluoro-2-nitrobenzene (ACI)
    • MFCD03840797
    • s11345
    • SY261152
    • 884495-47-0
    • CS-0146382
    • AKOS015960848
    • 2-nitro-3,4-difluorobromobenzene
    • 6-Bromo-2,3-difluoronitrobenzene
    • DTXSID40646446
    • DM-0711
    • MDL: MFCD03840797
    • Inchi: 1S/C6H2BrF2NO2/c7-3-1-2-4(8)5(9)6(3)10(11)12/h1-2H
    • InChI Key: QYDCWSXHLDNEBD-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(Br)=CC=C(F)C=1F)=O

Computed Properties

  • Exact Mass: 236.92370g/mol
  • Monoisotopic Mass: 236.92370g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 187
  • 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: 45.8
  • XLogP3: 2.6

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Additional information on 1-Bromo-3,4-difluoro-2-nitrobenzene

1-Bromo-3,4-difluoro-2-nitrobenzene (CAS No. 884495-47-0): A Comprehensive Overview

1-Bromo-3,4-difluoro-2-nitrobenzene (CAS No. 884495-47-0) is a versatile organic compound that has garnered significant attention in the fields of chemical synthesis and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a bromine atom, two fluorine atoms, and a nitro group attached to a benzene ring. These functional groups contribute to its reactivity and potential applications in various chemical processes.

The molecular formula of 1-Bromo-3,4-difluoro-2-nitrobenzene is C7H3BrF22, and its molecular weight is approximately 235.00 g/mol. The compound is a solid at room temperature and exhibits a characteristic yellow color. Its physical properties include a melting point of around 65°C and a boiling point of approximately 250°C under standard atmospheric pressure. The solubility of this compound in water is low, but it is readily soluble in organic solvents such as dichloromethane, acetone, and ethanol.

In the realm of chemical synthesis, 1-Bromo-3,4-difluoro-2-nitrobenzene serves as an important intermediate for the preparation of various functionalized aromatic compounds. The presence of the bromine and fluorine atoms makes it an excellent substrate for substitution reactions, while the nitro group can be reduced to an amino group, opening up a wide range of synthetic possibilities. Recent studies have explored the use of this compound in the synthesis of novel fluorinated materials with applications in electronics and materials science.

In the context of pharmaceutical research, 1-Bromo-3,4-difluoro-2-nitrobenzene has shown promise as a starting material for the development of new drugs. The introduction of fluorine atoms into drug molecules can significantly enhance their pharmacological properties, such as metabolic stability and binding affinity to target proteins. For instance, a recent study published in the Journal of Medicinal Chemistry reported the synthesis of several fluoro-substituted analogs derived from 1-Bromo-3,4-difluoro-2-nitrobenzene, which exhibited potent antiviral activity against influenza viruses.

The safety and handling of 1-Bromo-3,4-difluoro-2-nitrobenzene are critical considerations for researchers working with this compound. It is important to handle it with appropriate personal protective equipment (PPE) such as gloves and goggles to avoid skin contact and inhalation. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials. Additionally, proper disposal methods should be followed to ensure environmental safety.

In terms of analytical methods, high-performance liquid chromatography (HPLC) and gas chromatography (GC) are commonly used techniques for the identification and quantification of 1-Bromo-3,4-difluoro-2-nitrobenzene in various samples. Mass spectrometry (MS) is also employed to confirm its presence and purity. These methods are essential for quality control in both research and industrial settings.

The environmental impact of 1-Bromo-3,4-difluoro-2-nitrobenzene is another area of ongoing research. While it is not classified as a hazardous substance under current regulations, its potential effects on ecosystems need to be thoroughly investigated to ensure responsible use and disposal practices. Studies have shown that fluorinated compounds can persist in the environment for extended periods, raising concerns about their long-term impact on wildlife and human health.

In conclusion, 1-Bromo-3,4-difluoro-2-nitrobenzene (CAS No. 884495-47-0) is a multifaceted compound with significant potential in chemical synthesis and pharmaceutical research. Its unique molecular structure provides a foundation for developing novel materials and drugs with enhanced properties. As research continues to advance, this compound is likely to play an increasingly important role in various scientific disciplines.

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