Cas no 764722-93-2 (4-(4-Chlorophenyl)-2-fluorobenzoic acid)

4-(4-Chlorophenyl)-2-fluorobenzoic acid is a fluorinated aromatic carboxylic acid derivative with a chlorophenyl substituent, offering unique reactivity and structural properties for synthetic applications. Its distinct substitution pattern—combining a chloro group at the para position of the phenyl ring and a fluorine atom ortho to the carboxylic acid—enhances its utility as an intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing effects of the chlorine and fluorine groups influence its acidity and reactivity, making it valuable for cross-coupling reactions, ligand design, and derivatization. This compound is characterized by high purity and stability, ensuring consistent performance in research and industrial processes.
4-(4-Chlorophenyl)-2-fluorobenzoic acid structure
764722-93-2 structure
Product Name:4-(4-Chlorophenyl)-2-fluorobenzoic acid
CAS No:764722-93-2
MF:C13H8ClFO2
MW:250.652826309204
MDL:MFCD12859178
CID:1037821
Update Time:2025-10-25

4-(4-Chlorophenyl)-2-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4'-Chloro-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid
    • 4-(4-chlorophenyl)-2-fluorobenzoic acid
    • AC1Q72B5
    • ACMC-209p3t
    • ANW-36807
    • CTK8B2296
    • MolPort-011-488-722
    • SureCN6017915
    • 4-(4-Chlorophenyl)-2-fluorobenzoic acid
    • MDL: MFCD12859178
    • Inchi: 1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)
    • InChI Key: UGRHWVWTCWQIEO-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C=CC(C(=O)O)=C(C=1)F

Computed Properties

  • Exact Mass: 250.02000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 37.30000
  • LogP: 3.84430

4-(4-Chlorophenyl)-2-fluorobenzoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-(4-Chlorophenyl)-2-fluorobenzoic acid Pricemore >>

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abcr
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Additional information on 4-(4-Chlorophenyl)-2-fluorobenzoic acid

Comprehensive Overview of 4-(4-Chlorophenyl)-2-fluorobenzoic acid (CAS 764722-93-2): Properties, Applications, and Research Insights

4-(4-Chlorophenyl)-2-fluorobenzoic acid (CAS 764722-93-2) is a fluorinated aromatic carboxylic acid derivative with significant relevance in pharmaceutical and agrochemical research. This compound, characterized by its chlorophenyl and fluorobenzoic acid moieties, has garnered attention due to its versatile applications in drug discovery and material science. Its molecular structure, combining halogenated aromatic rings, makes it a valuable intermediate for synthesizing bioactive molecules targeting inflammation, metabolic disorders, and other therapeutic areas.

In recent years, the demand for fluorinated organic compounds like 4-(4-Chlorophenyl)-2-fluorobenzoic acid has surged, driven by their enhanced metabolic stability and bioavailability. Researchers frequently explore its potential in structure-activity relationship (SAR) studies, particularly in designing kinase inhibitors or GPCR modulators. The compound's CAS number 764722-93-2 is often searched in academic databases, reflecting its growing role in medicinal chemistry.

From a synthetic perspective, 4-(4-Chlorophenyl)-2-fluorobenzoic acid is synthesized via palladium-catalyzed cross-coupling reactions or halogen-exchange methodologies. Its fluorine substitution at the 2-position of the benzoic acid ring influences electronic properties, making it a candidate for proton-coupled electron transfer (PCET) studies. These attributes align with current trends in green chemistry, where researchers prioritize atom-efficient routes to reduce waste.

The compound's physicochemical properties—such as its logP value, solubility profile, and crystalline structure—are critical for formulation scientists. Analytical techniques like HPLC and NMR spectroscopy are routinely employed to validate its purity, a topic frequently queried in quality control forums. Regulatory guidelines, including ICH Q3D for elemental impurities, further underscore the need for rigorous characterization.

Beyond pharmaceuticals, CAS 764722-93-2 finds niche applications in organic electronics, where its aromatic system contributes to charge transport in thin-film devices. This dual utility in life sciences and materials research positions it as a multidisciplinary building block, a keyword often linked to high-impact publications.

Environmental considerations also shape discussions around 4-(4-Chlorophenyl)-2-fluorobenzoic acid. Its biodegradation pathways and ecotoxicological profile are subjects of ongoing study, reflecting broader societal interest in persistent organic pollutants (POPs). Computational tools like molecular docking and QSAR models help predict its environmental fate, addressing queries from sustainability-focused researchers.

In summary, 4-(4-Chlorophenyl)-2-fluorobenzoic acid (CAS 764722-93-2) exemplifies the convergence of synthetic innovation and applied science. Its halogenated architecture and carboxylic acid functionality offer a robust platform for diverse scientific inquiries, making it a staple in modern chemical research.

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