Cas no 933672-18-5 (Ethyl 2-bromo-6-chlorobenzoate)

Ethyl 2-bromo-6-chlorobenzoate structure
933672-18-5 structure
Product Name:Ethyl 2-bromo-6-chlorobenzoate
CAS No:933672-18-5
MF:C9H8BrClO2
MW:263.515621185303
MDL:MFCD07780717
CID:1088572
PubChem ID:53431275
Update Time:2025-07-19

Ethyl 2-bromo-6-chlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-bromo-6-chlorobenzoate
    • MFCD07780717
    • BS-43221
    • CS-0191285
    • PB43874
    • SCHEMBL22852766
    • SY321175
    • FT-0723776
    • ETHYL2-BROMO-6-CHLOROBENZOATE
    • 2-Bromo-6-chloro-benzoic acid ethyl ester
    • 933672-18-5
    • D84802
    • DB-342708
    • MDL: MFCD07780717
    • Inchi: 1S/C9H8BrClO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
    • InChI Key: DOAFFKVKFWFUMJ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=C(C=1C(=O)OCC)Cl

Computed Properties

  • Exact Mass: 261.93962g/mol
  • Monoisotopic Mass: 261.93962g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26.3?2

Ethyl 2-bromo-6-chlorobenzoate Pricemore >>

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Additional information on Ethyl 2-bromo-6-chlorobenzoate

Comprehensive Overview of Ethyl 2-bromo-6-chlorobenzoate (CAS No. 933672-18-5): Properties, Applications, and Industry Insights

Ethyl 2-bromo-6-chlorobenzoate (CAS No. 933672-18-5) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This ester derivative, featuring both bromo and chloro substituents on its aromatic ring, serves as a critical intermediate in synthesizing complex molecules. Its molecular formula, C9H8BrClO2, highlights its unique structural properties, making it a subject of interest for chemists exploring halogenated benzoates and their reactivity patterns.

In recent years, the demand for halogenated aromatic compounds like Ethyl 2-bromo-6-chlorobenzoate has surged due to their versatility in cross-coupling reactions, a topic frequently searched in academic and industrial forums. Researchers often inquire about its role in Suzuki-Miyaura or Buchwald-Hartwig reactions, where its bromo and chloro groups act as leaving groups for palladium-catalyzed transformations. This aligns with the growing trend of optimizing green chemistry protocols, as users increasingly search for "eco-friendly synthesis of halogenated intermediates."

The compound's physical properties—such as a melting point range of 45–50°C and solubility in organic solvents like dichloromethane or tetrahydrofuran—are frequently discussed in technical datasheets. Laboratories prioritize these details when designing reactions, especially in high-throughput screening environments. Notably, its stability under inert atmospheres makes it suitable for air-sensitive synthesis, a niche yet trending topic in synthetic chemistry circles.

From an application standpoint, Ethyl 2-bromo-6-chlorobenzoate is pivotal in developing active pharmaceutical ingredients (APIs). For instance, it may serve as a precursor for nonsteroidal anti-inflammatory drugs (NSAIDs) or antifungal agents, addressing common search queries like "halogenated benzoates in drug discovery." Its electron-withdrawing substituents enhance electrophilicity, facilitating nucleophilic aromatic substitutions—a concept often explored in mechanistic organic chemistry studies.

Industry professionals also highlight its utility in material science, particularly in synthesizing liquid crystals or organic semiconductors. With the rise of flexible electronics, searches for "halogenated aromatic esters in OLEDs" have grown, underscoring the compound's relevance beyond traditional chemistry. Regulatory compliance is another hot topic; while the compound itself isn’t classified as hazardous, proper handling of halogenated waste aligns with global sustainability goals.

In summary, Ethyl 2-bromo-6-chlorobenzoate (CAS No. 933672-18-5) exemplifies the intersection of structural complexity and practical utility in modern chemistry. Its applications span drug development, catalysis, and advanced materials, resonating with both academic researchers and industrial innovators. As search trends evolve toward sustainable synthesis and functional materials, this compound remains a key player in addressing these scientific frontiers.

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