Cas no 860296-12-4 (3-Fluoro-5-hydroxybenzoic acid)

3-Fluoro-5-hydroxybenzoic acid is a fluorinated aromatic carboxylic acid derivative with a hydroxyl group at the meta position relative to the carboxyl group. This compound is valued for its dual functional groups, which make it a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The fluorine substitution enhances metabolic stability and binding affinity in bioactive molecules, while the hydroxyl group provides a site for further derivatization. Its well-defined structure and high purity make it suitable for precision chemical reactions, including coupling and cross-coupling processes. The compound is commonly used in research and development for designing novel drug candidates and specialty chemicals.
3-Fluoro-5-hydroxybenzoic acid structure
860296-12-4 structure
Product Name:3-Fluoro-5-hydroxybenzoic acid
CAS No:860296-12-4
MF:C7H5FO3
MW:156.111205816269
MDL:MFCD11846515
CID:856209
PubChem ID:11228924
Update Time:2025-06-14

3-Fluoro-5-hydroxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-5-hydroxybenzoic acid
    • CL8086
    • 3-Fluoro-5-hydroxybenzoicAcid
    • 3-fluoro-5-hydroxy-benzoic Acid
    • PYZWGHVZOQTMCW-UHFFFAOYSA-N
    • SBB087118
    • BDBM50391822
    • AB64637
    • SY030488
    • AB0027054
    • 3-Fluoro-5-hydroxybenzoic acid, AldrichCPR
    • W8841
    • ST24028526
    • 3-Fluoro-5-hydroxybenzoic acid (ACI)
    • SCHEMBL1264934
    • MFCD11846515
    • EN300-95431
    • AKOS006342851
    • DTXSID60459358
    • FS-3463
    • CS-W005392
    • 860296-12-4
    • CHEMBL2146989
    • MDL: MFCD11846515
    • Inchi: 1S/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
    • InChI Key: PYZWGHVZOQTMCW-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(O)C=C(F)C=1)O

Computed Properties

  • Exact Mass: 156.02200
  • Monoisotopic Mass: 156.02227218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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: 1.3
  • Topological Polar Surface Area: 57.5

Experimental Properties

  • Density: 1.492±0.06 g/cm3 (20 oC 760 Torr)
  • Melting Point: 214-215℃ (ethyl acetate hexane )
  • Boiling Point: 351.8℃ at 760 mmHg
  • Flash Point: 166.5°C
  • Refractive Index: 1.585
  • PSA: 57.53000
  • LogP: 1.22950

3-Fluoro-5-hydroxybenzoic acid Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT

3-Fluoro-5-hydroxybenzoic acid Customs Data

  • HS CODE:2918290000
  • Customs Data:

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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3-Fluoro-5-hydroxybenzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Methanol ;  2 h, 25 °C
Reference
Converting core compounds into building blocks: The concept of regiochemically exhaustive functionalization
Marzi, Elena; Bobbio, Carla; Cottet, Fabrice; Schlosser, Manfred, European Journal of Organic Chemistry, 2005, (10), 2116-2123

3-Fluoro-5-hydroxybenzoic acid Raw materials

3-Fluoro-5-hydroxybenzoic acid Preparation Products

Additional information on 3-Fluoro-5-hydroxybenzoic acid

3-Fluoro-5-hydroxybenzoic Acid (CAS No. 860296-12-4): A Comprehensive Guide to Its Properties and Applications

3-Fluoro-5-hydroxybenzoic acid (CAS No. 860296-12-4) is a fluorinated aromatic carboxylic acid that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique fluoro and hydroxy functional groups, plays a pivotal role in the synthesis of advanced materials and bioactive molecules. Its molecular structure, C7H5FO3, combines the reactivity of a carboxylic acid with the electronic effects of fluorine, making it a versatile intermediate in organic chemistry.

In recent years, the demand for fluorinated compounds like 3-Fluoro-5-hydroxybenzoic acid has surged due to their applications in drug discovery and agrochemicals. Researchers are particularly interested in how fluorine substitution enhances the metabolic stability and bioavailability of pharmaceutical candidates. This aligns with the growing trend of precision medicine and targeted drug delivery, where fluorinated building blocks are essential for optimizing drug performance.

The synthesis of 3-Fluoro-5-hydroxybenzoic acid typically involves selective fluorination and oxidation steps, ensuring high purity and yield. Its CAS No. 860296-12-4 is a critical identifier for suppliers and researchers, facilitating accurate procurement and regulatory compliance. The compound's solubility in polar solvents like water and ethanol further expands its utility in laboratory and industrial settings.

One of the most searched questions about 3-Fluoro-5-hydroxybenzoic acid revolves around its mechanism of action in medicinal chemistry. Studies suggest that the fluoro group's electronegativity influences the compound's interaction with biological targets, making it a valuable scaffold for antibacterial and anti-inflammatory agents. This ties into broader discussions about antibiotic resistance and the need for novel therapeutic approaches.

From an environmental perspective, the biodegradability and eco-toxicity of fluorinated compounds are hot topics. While 3-Fluoro-5-hydroxybenzoic acid is not classified as hazardous, its responsible handling and disposal are emphasized in line with green chemistry principles. This resonates with the increasing focus on sustainable synthesis and reducing chemical waste in industrial processes.

In material science, 3-Fluoro-5-hydroxybenzoic acid serves as a precursor for liquid crystals and polymers with enhanced thermal stability. Its incorporation into high-performance materials addresses the demand for lightweight, durable components in electronics and aerospace. This application is particularly relevant given the rise of flexible electronics and renewable energy technologies.

For researchers seeking CAS No. 860296-12-4, reliable sourcing is paramount. Reputable suppliers provide detailed technical data sheets (TDS) and material safety data sheets (MSDS) to ensure compliance with global standards like REACH and GMP. The compound's storage conditions—typically room temperature in a dry, dark environment—are also frequently queried, highlighting the importance of proper handling.

In summary, 3-Fluoro-5-hydroxybenzoic acid (CAS No. 860296-12-4) is a multifaceted compound with applications spanning pharmaceuticals, agrochemicals, and advanced materials. Its fluorine-driven properties and compatibility with green chemistry initiatives position it as a key player in modern scientific innovation. As interest in fluorinated intermediates grows, this compound will undoubtedly remain at the forefront of research and development.

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