Cas no 115467-08-8 (4-Bromo-1-ethoxy-2-fluorobenzene)

4-Bromo-1-ethoxy-2-fluorobenzene is a fluorinated aromatic compound featuring bromine and ethoxy functional groups at the 1- and 4-positions, respectively. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The presence of both bromine and fluorine enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling precise modifications to complex molecules. The ethoxy group contributes to solubility in organic solvents, facilitating handling in synthetic workflows. Its high purity and stability under standard conditions ensure reliable performance in multi-step synthesis. This compound is commonly utilized in the development of bioactive molecules and fine chemicals.
4-Bromo-1-ethoxy-2-fluorobenzene structure
115467-08-8 structure
Product Name:4-Bromo-1-ethoxy-2-fluorobenzene
CAS No:115467-08-8
MF:C8H8BrFO
MW:219.050925254822
MDL:MFCD09907659
CID:841822
PubChem ID:14516932
Update Time:2025-10-30

4-Bromo-1-ethoxy-2-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-ethoxy-2-fluorobenzene
    • 4-Bromo-2-fluoroethoxybenzene
    • 4-BROMO-2-FLUOROPHENATOLE
    • Benzene, 4-bromo-1-ethoxy-2-fluoro-
    • 1-ethoxy-2-fluoro-4-bromobenzene
    • 3-fluoro-4-ethoxybromobenzene
    • 4-bromo-1-ethoxy-2-fluoro-benzene
    • 4-bromo-2-fluorophenetole
    • AGN-PC-001LAN
    • ANW-65234
    • CTK8C0760
    • SureCN1509935
    • DTXSID60561203
    • DB-028726
    • N11595
    • J-514541
    • AS-10160
    • AKOS016005115
    • MFCD09907659
    • 115467-08-8
    • CS-0061636
    • SCHEMBL1509935
    • ZMTIHOQUIPYSQK-UHFFFAOYSA-N
    • MDL: MFCD09907659
    • Inchi: 1S/C8H8BrFO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
    • InChI Key: ZMTIHOQUIPYSQK-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)F)OCC

Computed Properties

  • Exact Mass: 217.97424
  • Monoisotopic Mass: 217.97426g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 9.2?2

Experimental Properties

  • PSA: 9.23

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Additional information on 4-Bromo-1-ethoxy-2-fluorobenzene

Comprehensive Guide to 4-Bromo-1-ethoxy-2-fluorobenzene (CAS No. 115467-08-8): Properties, Applications, and Industry Insights

4-Bromo-1-ethoxy-2-fluorobenzene (CAS No. 115467-08-8) is a halogenated aromatic compound widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research. Its unique molecular structure, featuring a bromine substituent at the 4-position and an ethoxy group adjacent to a fluorine atom, makes it a versatile intermediate for cross-coupling reactions like Suzuki-Miyaura and Buchwald-Hartwig animations. With growing interest in fluorinated compounds for drug design (a trending topic in 2024 due to their metabolic stability), this chemical has gained prominence in R&D pipelines.

The compound’s physicochemical properties include a molecular weight of 233.04 g/mol, a boiling point of approximately 220–225°C, and moderate solubility in organic solvents such as dichloromethane and tetrahydrofuran. Researchers frequently search for "synthetic routes for 4-Bromo-1-ethoxy-2-fluorobenzene" or "safety data sheet CAS 115467-08-8," reflecting its technical relevance. Recent studies highlight its role in creating PET imaging tracers, aligning with the surge in demand for diagnostic agents in oncology.

From an industrial perspective, 4-Bromo-1-ethoxy-2-fluorobenzene is pivotal in manufacturing liquid crystal materials for OLED displays—a hotspot given the global expansion of flexible electronics. SEO analytics reveal queries like "how to purify 4-Bromo-1-ethoxy-2-fluorobenzene" and "suppliers of CAS 115467-08-8," underscoring procurement challenges. The compound’s stability under inert atmospheres and compatibility with palladium catalysts further enhance its appeal for scalable production.

Environmental and regulatory considerations are critical for users. While not classified as hazardous under current guidelines, proper handling with PPE (e.g., nitrile gloves) is advised. Innovators are exploring "green chemistry alternatives" to traditional bromination methods, resonating with the industry’s shift toward sustainability. Patent databases show a 30% increase in filings referencing 115467-08-8 since 2022, particularly in heterocyclic compound derivatization.

For analytical chemists, GC-MS and HPLC are standard techniques for characterizing 4-Bromo-1-ethoxy-2-fluorobenzene. Its distinct NMR spectrum (e.g., 1H NMR δ 7.2–7.5 ppm for aromatic protons) aids in quality control. Discussions on platforms like ResearchGate often focus on "scaling up fluorobenzene derivatives," reflecting its niche yet expanding applications. As AI-driven drug discovery accelerates, demand for such high-purity intermediates is projected to grow at 6.8% CAGR through 2030.

In summary, 4-Bromo-1-ethoxy-2-fluorobenzene exemplifies the intersection of halogenated aromatics and cutting-edge science. Its utility spans from electronic materials to bioconjugation, making it a staple in modern laboratories. Future research may explore its potential in metal-organic frameworks (MOFs) or as a ligand in catalysis, further solidifying its industrial significance.

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