Cas no 1261912-21-3 (4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid)

4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid structure
1261912-21-3 structure
Product Name:4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid
CAS No:1261912-21-3
MF:C20H15FO3
MW:322.329709291458
MDL:MFCD18322869
CID:1024642
PubChem ID:53228690
Update Time:2025-10-29

4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3'-(Benzyloxy)-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid
    • 4-(3-BENZYLOXYPHENYL)-3-FLUOROBENZOIC ACID
    • ACMC-209b4h
    • AK-93155
    • ANW-18687
    • BD230864
    • CTK8A9709
    • MolPort-015-155-968
    • DTXSID60692223
    • 3'-(Benzyloxy)-2-fluoro[1,1'-biphenyl]-4-carboxylic acid
    • AKOS015888551
    • 3/'-(Benzyloxy)-2-fluoro-[1,1/'-biphenyl]-4-carboxylic acid
    • [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-(phenylmethoxy)-
    • BS-20179
    • A889579
    • 3-fluoro-4-(3-phenylmethoxyphenyl)benzoic acid
    • 1261912-21-3
    • CS-0209370
    • MFCD18322869
    • 3'-(Benzyloxy)-2-fluoro-[1,1'-biphenyl]-4-carboxylicacid
    • 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid
    • MDL: MFCD18322869
    • Inchi: 1S/C20H15FO3/c21-19-12-16(20(22)23)9-10-18(19)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
    • InChI Key: MLUFTTSUDFBEAM-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)O)C=CC=1C1C=CC=C(C=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 322.10052250g/mol
  • Monoisotopic Mass: 322.10052250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 408
  • 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: 4.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 44-46℃
  • Boiling Point: 489.3±40.0 °C at 760 mmHg
  • Flash Point: 249.7±27.3 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid Security Information

4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid Pricemore >>

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Additional information on 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid

Comprehensive Guide to 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid (CAS No. 1261912-21-3): Properties, Applications, and Market Insights

4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid (CAS No. 1261912-21-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This fluorinated benzoic acid derivative is characterized by its unique molecular structure, combining a benzyloxyphenyl group with a fluorobenzoic acid moiety. Its chemical formula and precise structural configuration make it a valuable intermediate in the synthesis of more complex molecules.

The compound's physicochemical properties include a molecular weight of 336.34 g/mol and a distinct melting point range that makes it suitable for various laboratory applications. Researchers particularly value 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid for its stability under standard conditions and its solubility profile in common organic solvents. These characteristics have made it a subject of interest in recent studies exploring novel drug discovery approaches and advanced material development.

In pharmaceutical applications, CAS 1261912-21-3 serves as a crucial building block for the development of targeted therapies. Its fluorine substitution pattern enhances the metabolic stability of resulting compounds, addressing one of the key challenges in modern medicinal chemistry. Recent publications have highlighted its potential in creating molecules with improved bioavailability and receptor binding affinity, particularly in neurological and inflammatory disease research.

The material science field has also benefited from 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid's unique properties. Its incorporation into polymer backbones has shown promise in developing advanced materials with tailored optical and electronic characteristics. This aligns with current industry trends toward smart materials and functional polymers, making the compound particularly relevant to researchers working on next-generation technologies.

Market analysis indicates growing demand for fluorinated aromatic compounds like 1261912-21-3, driven by expanding applications in life sciences and specialty chemicals. The compound's supply chain has remained stable, with manufacturers offering various purity grades to meet different research needs. Quality control specifications typically include HPLC purity verification and detailed spectroscopic characterization to ensure batch-to-batch consistency.

From a synthetic chemistry perspective, 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid presents interesting opportunities for structural modification. The benzyloxy group offers a handle for further functionalization, while the carboxylic acid moiety allows for diverse derivatization strategies. These features have made it a popular choice for combinatorial chemistry approaches and library synthesis in drug discovery programs.

Environmental and safety considerations for CAS 1261912-21-3 follow standard laboratory chemical handling protocols. While not classified as hazardous under current regulations, proper personal protective equipment is recommended when working with this compound. Storage typically requires protection from moisture and extreme temperatures to maintain stability over extended periods.

The analytical characterization of 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid typically involves a combination of techniques including NMR spectroscopy, mass spectrometry, and infrared spectroscopy. These methods provide comprehensive structural verification and purity assessment, crucial for research applications where precise molecular identity is essential. Recent advancements in analytical instrumentation have improved the detection limits and accuracy for such characterizations.

Future research directions for 1261912-21-3 may explore its potential in emerging areas such as bioconjugation chemistry and targeted drug delivery systems. The compound's structural features make it amenable to various bioconjugation strategies, potentially enabling new approaches in diagnostic and therapeutic applications. This aligns with current scientific interest in precision medicine and personalized treatment modalities.

For researchers sourcing 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid, several specialized chemical suppliers offer the compound in quantities ranging from milligrams to kilograms. Technical data sheets typically provide detailed information on solubility, stability, and handling recommendations. The compound's relatively stable nature allows for international shipping under standard conditions, facilitating global research collaboration.

In conclusion, 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid (CAS No. 1261912-21-3) represents an important tool in modern chemical research. Its versatile applications span pharmaceutical development, material science, and synthetic methodology, reflecting the growing importance of fluorinated aromatic compounds in advanced research. As scientific understanding of structure-activity relationships continues to evolve, this compound is likely to maintain its relevance in cutting-edge chemical innovation.

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