Cas no 4385-75-5 (4-(3'-Pyridyl)benzoic Acid)

4-(3'-Pyridyl)benzoic Acid structure
4-(3'-Pyridyl)benzoic Acid structure
Product Name:4-(3'-Pyridyl)benzoic Acid
CAS No:4385-75-5
MF:C12H9NO2
MW:199.205363035202
MDL:MFCD03426513
CID:328573
PubChem ID:1515244
Update Time:2025-11-01

4-(3'-Pyridyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridin-3-yl-benzoic acid
    • 4-(3-Pyridinyl)benzoic acid
    • 4-(3-PYRIDYL)BENZOIC ACID
    • 4-Pyrid-3-ylbenzoic acid
    • 4-pyridin-3-ylbenzoic acid
    • 4-(3-pyridinyl)-Benzoic acid,
    • 3-pyridin-4-yl-benzoic acid
    • 4-(3'-Pyridyl)benzoic acid
    • 4-(Pyridin-3-yl)benzoic acid
    • 10.10-OXYBIS(PHENOXARSINE)
    • SCHEMBL208351
    • GYUKEVKPDRXPAB-UHFFFAOYSA-N
    • 4-pyridin-3-yl-benzoic acid, AldrichCPR
    • DTXSID30363918
    • EN300-214837
    • MFCD03426513
    • AKOS004114005
    • FT-0635261
    • CHEMBL4539725
    • NCGC00374196-01
    • 4-(pyridin-3-yl)-benzoic acid
    • BDBM50520254
    • 4-(pyridin-3-yl) benzoic acid
    • AB14987
    • BB 0222735
    • CHEBI:195080
    • FS-1290
    • 4385-75-5
    • 4-(3pyridyl)benzoic acid
    • FT-0656535
    • 4-[pyridin-3-yl]-benzoic acid
    • CS-0036181
    • AM803909
    • DB-001761
    • 4-(3'-Pyridyl)benzoic Acid
    • MDL: MFCD03426513
    • Inchi: 1S/C12H9NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-8H,(H,14,15)
    • InChI Key: GYUKEVKPDRXPAB-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 199.06300
  • Monoisotopic Mass: 199.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 50.2A^2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.241
  • Melting Point: 271-274
  • Boiling Point: 398.8°Cat760mmHg
  • Flash Point: 195°C
  • PSA: 50.19000
  • LogP: 2.44680
  • Solubility: Uncertain

4-(3'-Pyridyl)benzoic Acid Security Information

  • Hazard Statement: Harmful
  • Hazardous Material Identification: Xi

4-(3'-Pyridyl)benzoic Acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-(3'-Pyridyl)benzoic Acid Production Method

Additional information on 4-(3'-Pyridyl)benzoic Acid

Comprehensive Overview of 4-(3'-Pyridyl)benzoic Acid (CAS No. 4385-75-5): Properties, Applications, and Research Insights

4-(3'-Pyridyl)benzoic Acid (CAS No. 4385-75-5) is a versatile organic compound that has garnered significant attention in pharmaceutical and material science research. This heterocyclic carboxylic acid features a pyridine ring linked to a benzoic acid moiety, making it a valuable intermediate for synthesizing drug candidates, coordination polymers, and functional materials. Its unique structure enables diverse applications, from metal-organic frameworks (MOFs) to biologically active molecules, aligning with current trends in green chemistry and precision medicine.

The compound’s molecular formula (C12H9NO2) and molecular weight (199.21 g/mol) reflect its compact yet functional design. Researchers frequently explore its crystallographic properties and hydrogen-bonding capabilities, which are critical for designing supramolecular architectures. With the rise of computational chemistry, 4385-75-5 is also modeled for molecular docking studies, addressing questions like "How does 4-(3'-Pyridyl)benzoic Acid interact with enzyme active sites?"—a common query in drug discovery forums.

In the context of sustainable synthesis, 4-(3'-Pyridyl)benzoic Acid is often discussed alongside catalysis optimization and solvent-free reactions. A trending topic in organic chemistry circles is its role in multicomponent reactions, which minimize waste and energy use. This aligns with the EPA’s greener chemical policies, making the compound a candidate for eco-friendly industrial processes. Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to verify its purity, a point emphasized in QA/QC guidelines for fine chemicals.

Another hot topic is the compound’s potential in photovoltaic materials. Its conjugated π-system and electron-withdrawing groups make it a candidate for organic solar cells, a field rapidly growing due to global interest in renewable energy. Searches for "pyridine-based materials for energy storage" often highlight derivatives of 4385-75-5, underscoring its relevance in next-gen technology.

From a biological standpoint, 4-(3'-Pyridyl)benzoic Acid is studied for its ligand properties in metallodrugs, particularly in anticancer research. Its ability to chelate metal ions like platinum or ruthenium is explored in PubMed-indexed studies, answering queries such as "Can pyridine-carboxylate hybrids enhance chemotherapy efficacy?" The compound’s low toxicity profile further supports its use in biomedical applications.

Regulatory and safety data sheets (SDS) for CAS 4385-75-5 confirm its stability under standard conditions, though proper lab handling protocols (e.g., gloves, ventilation) are recommended. Unlike hazardous precursors, this compound is classified as non-SARA-listed, easing its procurement for academic and industrial R&D.

In summary, 4-(3'-Pyridyl)benzoic Acid bridges fundamental research and applied science, addressing contemporary needs in healthcare, energy, and environmental sustainability. Its multidisciplinary utility ensures continued relevance in high-impact journals and patent filings, making it a staple in modern chemical innovation.

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