Cas no 205533-31-9 (4,5-Difluoro-2-hydroxybenzoic acid)

4,5-Difluoro-2-hydroxybenzoic acid is a fluorinated benzoic acid derivative characterized by its hydroxyl and carboxyl functional groups at the 2-position, along with fluorine substitutions at the 4- and 5-positions. This structural configuration enhances its utility as a versatile intermediate in pharmaceutical and agrochemical synthesis, where fluorine incorporation often improves metabolic stability and bioavailability. The compound’s reactivity allows for further functionalization, making it valuable in the development of bioactive molecules. Its crystalline solid form and well-defined purity profile ensure consistent performance in synthetic applications. The presence of both electron-withdrawing (fluoro) and electron-donating (hydroxy) groups also facilitates its use in materials science and coordination chemistry.
4,5-Difluoro-2-hydroxybenzoic acid structure
205533-31-9 structure
Product Name:4,5-Difluoro-2-hydroxybenzoic acid
CAS No:205533-31-9
MF:C7H4F2O3
MW:174.101669311523
MDL:MFCD13185554
CID:3040579
PubChem ID:12040832
Update Time:2025-10-29

4,5-Difluoro-2-hydroxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4,5-Difluoro-2-hydroxybenzoic acid
    • 4,5-difluorosalicylic acid
    • LQPQOESULBOBBB-UHFFFAOYSA-N
    • AK243242
    • CS-0138267
    • AKOS023624096
    • CHEMBL3792492
    • C73895
    • 4,5-Difluoro-2-hydroxy-benzoic acid
    • MFCD13185554
    • DS-10546
    • Benzoic acid, 4,5-difluoro-2-hydroxy-
    • 205533-31-9
    • DTXSID001297593
    • SCHEMBL2551682
    • EN300-1238058
    • 4,5-difluoro-2-hydroxybenzoicacid
    • SY344828
    • Z1255417211
    • FIA53331
    • MDL： MFCD13185554
    • Inchi： 1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
    • InChI Key： LQPQOESULBOBBB-UHFFFAOYSA-N
    • SMILES： FC1C(=CC(=C(C(=O)O)C=1)O)F

Computed Properties

  • Exact Mass: 174.01285031g/mol
  • Monoisotopic Mass: 174.01285031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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
  • Topological Polar Surface Area: 57.5
  • XLogP3: 1.8

Experimental Properties

  • Boiling Point: 318.6±42.0°C at 760 mmHg

4,5-Difluoro-2-hydroxybenzoic acid Security Information

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4,5-Difluoro-2-hydroxybenzoic acid Related Literature

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Additional information on 4,5-Difluoro-2-hydroxybenzoic acid

Exploring 4,5-Difluoro-2-hydroxybenzoic Acid (CAS No. 205533-31-9): Properties, Applications, and Innovations

4,5-Difluoro-2-hydroxybenzoic acid (CAS No. 205533-31-9) is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in pharmaceutical and material science research. With its unique molecular structure featuring two fluorine atoms and a hydroxyl group, this compound exhibits remarkable chemical reactivity and biological activity, making it a versatile intermediate in synthetic chemistry. Researchers and industries are increasingly exploring its potential in drug development, agrochemical formulations, and advanced material synthesis.

The growing interest in fluorinated compounds like 4,5-Difluoro-2-hydroxybenzoic acid stems from their ability to enhance metabolic stability and bioavailability in active pharmaceutical ingredients (APIs). A 2023 study highlighted its role in optimizing kinase inhibitors, a hot topic in cancer therapeutics. Meanwhile, its chelating properties align with the surge in demand for metal-organic frameworks (MOFs), answering frequent search queries about "fluorine in smart materials."

From a synthetic chemistry perspective, the CAS 205533-31-9 compound serves as a critical building block for heterocyclic compounds, addressing the pharmaceutical industry's need for structural diversity. Its electron-withdrawing fluorine atoms enable precise regioselective reactions—a frequently searched term among organic chemists. Recent patents (2022-2024) reveal its utility in developing next-generation antibiotics, tapping into global concerns about antimicrobial resistance (AMR).

Environmental considerations also drive innovation around 4,5-Difluoro-2-hydroxybenzoic acid. Its potential in biodegradable polymer design responds to searches for "sustainable fluorochemicals." Analytical studies confirm its low ecotoxicity profile compared to traditional halogenated analogs, making it relevant to green chemistry discussions. Laboratories now employ high-performance liquid chromatography (HPLC) and LC-MS—commonly searched techniques—to quantify its purity for GMP applications.

Market trends show rising demand for 205533-31-9 in electronic materials, particularly for organic semiconductors. Its π-conjugated system and hydrogen-bonding capacity (per Google Scholar data) enable applications in OLED technology—a trending search term. Manufacturers emphasize batch-to-batch consistency through QbD (Quality by Design) approaches, addressing frequent buyer queries about supply chain reliability for research chemicals.

Future research directions for 4,5-Difluoro-2-hydroxybenzoic acid include cocrystal engineering (a rising PubMed keyword) to improve drug solubility, and photocatalysis applications aligning with renewable energy trends. Its structure-activity relationships (SAR) remain a focal point for medicinal chemistry teams worldwide, as evidenced by its inclusion in AI-driven molecular design databases—another high-traffic search topic in 2024.

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