Cas no 59772-48-4 (1-Bromo-3-chloro-2-nitrobenzene)

1-Bromo-3-chloro-2-nitrobenzene is a halogenated nitroaromatic compound with the molecular formula C?H?BrClNO?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of bromo, chloro, and nitro substituents on the benzene ring enhances its reactivity, enabling selective functionalization in cross-coupling reactions, nucleophilic substitutions, and other transformations. Its well-defined structure and stability make it suitable for controlled synthetic applications. The compound is typically handled under standard laboratory conditions, with attention to proper safety measures due to its potential irritant properties. Its high purity and consistent performance ensure reliable results in research and industrial processes.
1-Bromo-3-chloro-2-nitrobenzene structure
59772-48-4 structure
Product Name:1-Bromo-3-chloro-2-nitrobenzene
CAS No:59772-48-4
MF:C6H3BrClNO2
MW:236.450519800186
MDL:MFCD11100175
CID:2951218
PubChem ID:25242101
Update Time:2025-05-19

1-Bromo-3-chloro-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-氯-6-溴-硝基苯
    • 1-bromo-3-chloro-2-nitrobenzene
    • 2-Bromo-6-chloronitrobenzene
    • 3-bromo-2-nitrochlorobenzene
    • 2-bromo-6-chloro-nitrobenzene
    • 1-Bromo-2-nitro-3-chlorobenzene
    • WT500
    • FCH1402264
    • AK317562
    • AX8330660
    • 59772-48-4
    • DTXSID001303310
    • DS-11508
    • SY316895
    • SCHEMBL16397274
    • DB-201677
    • CS-0041699
    • MFCD11100175
    • AKOS027324428
    • N12302
    • 1-Bromo-3-chloro-2-nitrobenzene
    • MDL: MFCD11100175
    • Inchi: 1S/C6H3BrClNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
    • InChI Key: QSRMCGRAEBIWOH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=C(C=1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 234.90357g/mol
  • Monoisotopic Mass: 234.90357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 161
  • 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: 3.1

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Additional information on 1-Bromo-3-chloro-2-nitrobenzene

Comprehensive Guide to 1-Bromo-3-chloro-2-nitrobenzene (CAS No. 59772-48-4): Properties, Applications, and Industry Insights

1-Bromo-3-chloro-2-nitrobenzene (CAS No. 59772-48-4) is a halogenated nitroaromatic compound widely utilized in organic synthesis and industrial applications. This compound, characterized by its molecular formula C6H3BrClNO2, combines bromine, chlorine, and nitro functional groups on a benzene ring, making it a versatile intermediate for pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure enables selective reactivity, attracting significant interest from researchers and manufacturers alike.

In recent years, the demand for halogenated nitrobenzenes like 1-Bromo-3-chloro-2-nitrobenzene has surged due to their role in synthesizing advanced materials and active pharmaceutical ingredients (APIs). Searches for "nitrobenzene derivatives uses" and "bromochloronitrobenzene synthesis" reflect growing curiosity about their applications. Environmental and regulatory trends also drive innovation, with industries seeking greener alternatives for traditional synthetic pathways involving such intermediates.

The physical properties of CAS No. 59772-48-4 include a pale-yellow crystalline appearance, moderate solubility in organic solvents, and stability under standard conditions. These traits make it suitable for controlled reactions in laboratories and scaled production. Analytical techniques like HPLC and GC-MS are commonly employed to verify its purity, a critical factor for end-use precision. Researchers often inquire about "how to purify 1-Bromo-3-chloro-2-nitrobenzene" or "spectroscopic data for halogenated nitrobenzenes," highlighting the need for detailed technical guidance.

From an industrial perspective, 1-Bromo-3-chloro-2-nitrobenzene serves as a precursor in dye manufacturing, corrosion inhibitors, and electronic materials. Its reactivity with nucleophiles allows for tailored modifications, aligning with trends toward customized chemical solutions. Sustainability-focused queries such as "eco-friendly synthesis of nitroaromatics" underscore the shift toward minimizing waste and energy consumption in production processes.

Safety and handling protocols for CAS 59772-48-4 emphasize proper ventilation and personal protective equipment (PPE). While not classified under stringent hazardous categories, its handling requires adherence to standard laboratory practices. FAQs like "storage conditions for bromochloronitrobenzene" or "compatibility with other reagents" are prevalent among users, indicating a need for accessible safety data.

In conclusion, 1-Bromo-3-chloro-2-nitrobenzene remains a pivotal compound in modern chemistry, bridging academic research and industrial innovation. Its multifaceted applications and evolving synthesis methods ensure continued relevance, particularly as industries prioritize efficiency and sustainability. For those exploring "alternatives to halogenated intermediates" or "high-yield nitrobenzene reactions," this compound offers a robust framework for further study and development.

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