Cas no 897955-78-1 (4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene)

4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene is a halogenated aromatic ether compound with a molecular formula of C9H10BrClO2. This derivative features a bromo and chloro substitution on the benzene ring, along with a 2-methoxyethoxy side chain, enhancing its reactivity and utility in organic synthesis. The compound serves as a versatile intermediate in pharmaceutical and agrochemical applications, particularly in cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. Its well-defined structure and stability under various reaction conditions make it a reliable building block for constructing complex molecules. The presence of both electron-withdrawing and electron-donating groups allows for selective functionalization, broadening its synthetic applicability.
4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene structure
897955-78-1 structure
Product Name:4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene
CAS No:897955-78-1
MF:C9H10BrClO2
MW:265.531501293182
CID:1038964
PubChem ID:53217001
Update Time:2025-06-11

4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene
    • AKOS009553139
    • MFCD17015801
    • 897955-78-1
    • BS-23930
    • SCHEMBL8265598
    • XKB95578
    • DTXSID00682108
    • OZNVIFVDARUOJN-UHFFFAOYSA-N
    • 4-bromo-1-chloro-2-(2-methoxyethoxyl)benzene
    • DB-367356
    • MDL： MFCD17015801
    • Inchi： 1S/C9H10BrClO2/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
    • InChI Key： OZNVIFVDARUOJN-UHFFFAOYSA-N
    • SMILES： BrC1=CC=C(C(=C1)OCCOC)Cl

Computed Properties

  • Exact Mass: 263.95500
  • Monoisotopic Mass: 263.95527g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 146
  • 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: 3.1
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 3.12770

4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene Customs Data

  • HS CODE：2909309090
  • Customs Data：

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene Related Literature

Related Categories

Additional information on 4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene

Comprehensive Overview of 4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene (CAS No. 897955-78-1)

4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene (CAS No. 897955-78-1) is a specialized aromatic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique structural features, including the bromo and chloro substituents combined with a 2-methoxyethoxy side chain, make it a versatile building block for organic transformations. Researchers and industries value this compound for its role in Suzuki-Miyaura cross-coupling reactions, a topic frequently searched in AI-driven chemical synthesis platforms.

The growing demand for halogenated benzene derivatives in drug discovery, particularly for kinase inhibitors and anticancer agents, has increased interest in this compound. Online queries often focus on its solubility in polar solvents, stability under reflux conditions, and compatibility with green chemistry protocols—a trending topic in sustainable science. Analytical data (HPLC, NMR) confirms its high purity (>98%), a critical factor for regulatory compliance in GMP applications.

From an SEO perspective, users frequently search for "synthetic routes for 4-Bromo-1-chloro-2-(2-methoxyethoxy)benzene" or "CAS 897955-78-1 suppliers," reflecting commercial and academic needs. The compound’s low ecotoxicity profile (per OECD 201 guidelines) aligns with the rising trend of eco-friendly reagents, another high-traffic keyword cluster. Recent patents highlight its utility in OLED materials—a hotspot in flexible electronics research.

Storage recommendations (-20°C under inert gas) and handling precautions (use of anhydrous conditions) are commonly queried in technical forums. The compound’s molecular weight (265.54 g/mol) and boiling point (estimated 280°C) are critical for process scalability, a concern for industrial-scale synthesis professionals. Its XLogP3 value of 3.2 suggests moderate lipophilicity, relevant for drug permeability studies.

Innovative applications include its use as a precursor for fluorescent probes in bioimaging—a trending interdisciplinary field. The methoxyethoxy moiety enhances water solubility compared to traditional halogenated benzenes, addressing a key limitation noted in medicinal chemistry literature. This balance between hydrophilicity and reactivity makes it valuable for prodrug design, another frequently searched term.

Regulatory databases confirm its absence from restricted substances lists, facilitating global trade. Quality control protocols emphasize HPLC-UV analysis at 254 nm, a standard method queried by quality assurance specialists. The compound’s IR spectrum (characteristic C-Br stretch at 560 cm?1) serves as a key identifier in academic labs.

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