Cas no 1261921-79-2 (4-(2,3-Difluorophenyl)-2-nitrobenzoic acid)

4-(2,3-Difluorophenyl)-2-nitrobenzoic acid is a fluorinated aromatic compound featuring a nitro-substituted benzoic acid core with a 2,3-difluorophenyl moiety. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms enhances metabolic stability and bioavailability, while the nitro group offers reactivity for further functionalization. Its high purity and well-defined structure ensure consistent performance in coupling reactions and heterocycle formation. Suitable for research and industrial applications, this compound is particularly useful in the development of bioactive molecules, where precise structural modifications are critical. Proper handling is advised due to potential reactivity of the nitro and carboxylic acid groups.
4-(2,3-Difluorophenyl)-2-nitrobenzoic acid structure
1261921-79-2 structure
Product Name:4-(2,3-Difluorophenyl)-2-nitrobenzoic acid
CAS No:1261921-79-2
MF:C13H7F2NO4
MW:279.195790529251
MDL:MFCD18320028
CID:2763645
PubChem ID:53225942
Update Time:2025-10-05

4-(2,3-Difluorophenyl)-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid, 95%
    • DTXSID20689674
    • MFCD18320028
    • 2',3'-Difluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid
    • 1261921-79-2
    • 4-(2,3-DIFLUOROPHENYL)-2-NITROBENZOIC ACID
    • 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid
    • MDL: MFCD18320028
    • Inchi: 1S/C13H7F2NO4/c14-10-3-1-2-8(12(10)15)7-4-5-9(13(17)18)11(6-7)16(19)20/h1-6H,(H,17,18)
    • InChI Key: BDTGQUBTUVPUJU-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 279.03431403Da
  • Monoisotopic Mass: 279.03431403Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 387
  • 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: 3.1
  • Topological Polar Surface Area: 83.1?2

4-(2,3-Difluorophenyl)-2-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327171-5 g
4-(2,3-Difluorophenyl)-2-nitrobenzoic acid, 95%; .
1261921-79-2 95%
5g
€1159.00 2023-04-26
abcr
AB327171-5g
4-(2,3-Difluorophenyl)-2-nitrobenzoic acid, 95%; .
1261921-79-2 95%
5g
€1159.00 2025-04-21

Additional information on 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid

4-(2,3-Difluorophenyl)-2-nitrobenzoic Acid: A Comprehensive Guide to Properties and Applications

4-(2,3-Difluorophenyl)-2-nitrobenzoic acid (CAS No. 1261921-79-2) is a specialized fluorinated nitrobenzoic acid derivative that has gained significant attention in pharmaceutical and material science research. This compound, characterized by its unique difluorophenyl and nitrobenzoic acid structure, serves as a valuable intermediate in organic synthesis. Researchers are particularly interested in its potential for creating novel drug candidates and advanced materials, especially in the development of targeted therapies and bioactive molecules.

The molecular structure of 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid features two distinct functional groups: the electron-withdrawing nitro group at the 2-position and the difluorophenyl moiety at the 4-position. This combination creates interesting electronic properties that make it useful for structure-activity relationship (SAR) studies in medicinal chemistry. The presence of fluorine atoms enhances the compound's metabolic stability and membrane permeability, key factors in pharmacokinetic optimization of potential drug molecules.

Recent studies highlight the growing importance of fluorinated aromatic compounds like 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid in addressing current challenges in drug discovery. With approximately 30% of newly approved drugs containing fluorine atoms, this compound aligns with the pharmaceutical industry's focus on fluorine-containing bioactive molecules. Its applications extend to the development of enzyme inhibitors, particularly for targets involved in inflammatory and metabolic disorders, making it relevant to current research on personalized medicine approaches.

The synthesis of 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Advanced analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are employed for characterization and quality control. These rigorous protocols ensure the compound meets the standards required for pharmaceutical research and material science applications, where even minor impurities can significantly impact experimental outcomes.

In material science, the 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid structure offers interesting possibilities for creating functional materials with specific electronic properties. Researchers are exploring its potential in designing organic semiconductors and liquid crystal materials, particularly for applications in optoelectronic devices. The compound's ability to influence molecular packing and charge transport makes it valuable for developing next-generation display technologies and organic electronic components.

The market for fluorinated pharmaceutical intermediates like 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid has shown steady growth, driven by increasing demand for targeted drug therapies and specialty chemicals. Manufacturers focus on developing scalable synthesis methods while maintaining strict quality standards. Current trends emphasize green chemistry approaches to reduce environmental impact, including solvent optimization and catalytic methods, reflecting the industry's commitment to sustainable chemical production.

Storage and handling of 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid require standard laboratory precautions for organic compounds. It should be kept in a cool, dry environment, protected from light and moisture to maintain stability. While not classified as hazardous under normal handling conditions, proper personal protective equipment should be used when working with this chemical, following established laboratory safety protocols for organic synthesis intermediates.

Future research directions for 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid include exploring its potential in covalent organic frameworks (COFs) and as a building block for metal-organic frameworks (MOFs). These applications leverage its structural features to create materials with tailored porosity and functionality. Additionally, its role in developing PET imaging probes and theranostic agents represents an exciting frontier in medical imaging and precision medicine, addressing current needs in diagnostic technology development.

For researchers sourcing 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid, it's important to verify the supplier's quality certifications and analytical data. Reputable suppliers provide comprehensive characterization data including chromatographic purity, spectroscopic confirmation, and batch-to-batch consistency information. These quality indicators are crucial for ensuring reproducible results in sensitive applications like medicinal chemistry and materials research.

The scientific literature contains numerous references to difluorophenyl-containing compounds and their applications, with 4-(2,3-Difluorophenyl)-2-nitrobenzoic acid representing an important example of this structural class. Recent publications highlight its use in developing kinase inhibitors and GPCR modulators, reflecting current interests in signal transduction targeting. These applications demonstrate how this compound contributes to addressing contemporary challenges in drug development and chemical biology research.

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