Cas no 1804932-59-9 (Ethyl 2,4-dibromo-3-fluorobenzoate)

Ethyl 2,4-dibromo-3-fluorobenzoate structure
1804932-59-9 structure
Product Name:Ethyl 2,4-dibromo-3-fluorobenzoate
CAS No:1804932-59-9
MF:C9H7Br2FO2
MW:325.95708489418
CID:4706508
Update Time:2025-11-02

Ethyl 2,4-dibromo-3-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,4-dibromo-3-fluorobenzoate
    • Inchi: 1S/C9H7Br2FO2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3
    • InChI Key: KNTROOBQARNSIJ-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=CC=1C(=O)OCC)Br)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 213
  • Topological Polar Surface Area: 26.3

Ethyl 2,4-dibromo-3-fluorobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013015384-250mg
Ethyl 2,4-dibromo-3-fluorobenzoate
1804932-59-9 97%
250mg
484.80 USD 2021-06-25
Alichem
A013015384-500mg
Ethyl 2,4-dibromo-3-fluorobenzoate
1804932-59-9 97%
500mg
790.55 USD 2021-06-25
Alichem
A013015384-1g
Ethyl 2,4-dibromo-3-fluorobenzoate
1804932-59-9 97%
1g
1,460.20 USD 2021-06-25

Ethyl 2,4-dibromo-3-fluorobenzoate Related Literature

Additional information on Ethyl 2,4-dibromo-3-fluorobenzoate

Comprehensive Overview of Ethyl 2,4-dibromo-3-fluorobenzoate (CAS No. 1804932-59-9)

Ethyl 2,4-dibromo-3-fluorobenzoate (CAS No. 1804932-59-9) is a specialized fluorinated aromatic ester widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring bromine and fluorine substituents, grants it exceptional reactivity in cross-coupling reactions, making it a valuable building block for heterocyclic compounds. With the growing demand for halogenated benzoates in drug discovery, this compound has garnered significant attention from researchers exploring targeted therapies and sustainable synthesis methods.

In recent years, the compound's role in green chemistry has been a hot topic, particularly as industries seek eco-friendly alternatives to traditional reagents. Searches for "fluorobenzoate derivatives in catalysis" or "brominated esters for medicinal chemistry" reflect its relevance in cutting-edge applications. The Ethyl 2,4-dibromo-3-fluorobenzoate structure also aligns with trends in high-throughput screening, where its modular design aids in rapid molecular diversification.

From a technical perspective, CAS 1804932-59-9 exhibits notable stability under ambient conditions, though storage recommendations emphasize protection from moisture to preserve its hydrolytic sensitivity. Analytical techniques like HPLC and NMR spectroscopy are typically employed for purity verification, addressing common user queries about "how to characterize halogenated benzoates." Its melting point and solubility profile (soluble in organic solvents like DCM or THF) further enhance its utility in multistep synthetic routes.

The compound's regioselective reactivity frequently appears in discussions about C-H functionalization, a trending area in synthetic organic chemistry. Patent analyses reveal its incorporation in light-emitting materials and electronic-grade chemicals, responding to the surge in searches for "halogenated aromatics in OLEDs." Researchers also highlight its potential in bioconjugation strategies, particularly for probe development in biochemical assays.

Quality control protocols for Ethyl 2,4-dibromo-3-fluorobenzoate often involve rigorous chromatographic separation to minimize dihalogenated byproducts—a key concern for users investigating "purification of polyhalogenated esters." The compound's electron-withdrawing properties make it particularly useful in nucleophilic aromatic substitution (SNAr) reactions, a fact frequently cited in forums discussing "activating groups for SNAr."

Emerging applications include its use as a precursor for liquid crystal materials and polymeric photoinitiators, aligning with industry shifts toward advanced functional materials. Environmental studies on halogenated persistent organic pollutants (POPs) have spurred interest in its biodegradation pathways, with recent publications examining its microbial transformation under aerobic conditions.

In summary, CAS 1804932-59-9 represents a versatile tool for modern synthetic chemists, bridging gaps between small-molecule drug design, material science, and environmental chemistry. Its continued adoption across disciplines underscores the importance of multifunctional halogenated building blocks in addressing contemporary scientific challenges.

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