Cas no 1261893-13-3 (2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid)

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid is a substituted benzoic acid derivative featuring chloro and fluoro-methylphenyl functional groups. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a synthetic intermediate in the development of biologically active molecules. The presence of halogen and alkyl substituents enhances its reactivity, making it suitable for further functionalization via cross-coupling or nucleophilic substitution reactions. Its structural features may contribute to improved metabolic stability and binding affinity in target applications. The compound is typically characterized by high purity and consistent quality, ensuring reliability in experimental and industrial processes. Proper handling and storage are recommended due to its reactive nature.
2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid structure
1261893-13-3 structure
Product Name:2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid
CAS No:1261893-13-3
MF:C14H10ClFO2
MW:264.679406642914
MDL:MFCD18319643
CID:1039231
PubChem ID:53225561
Update Time:2025-05-21

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid
    • 2-chloro-4-(3-fluoro-4-methylphenyl)benzoic acid
    • CS-0443745
    • MFCD18319643
    • DTXSID00689293
    • [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-methyl-
    • 1261893-13-3
    • 3-Chloro-3/'-fluoro-4/'-Methyl-[1,1/'-biphenyl]-4-carboxylic acid
    • 3-Chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylicacid
    • BS-20150
    • A889594
    • 3-Chloro-3'-fluoro-4'-methyl[1,1'-biphenyl]-4-carboxylic acid
    • 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid
    • MDL： MFCD18319643
    • Inchi： 1S/C14H10ClFO2/c1-8-2-3-10(7-13(8)16)9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18)
    • InChI Key： XUTAVZFTNYZTEU-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)O)C=CC(=C1)C1C=CC(C)=C(C=1)F

Computed Properties

  • Exact Mass: 264.03500
  • Monoisotopic Mass: 264.0353354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 310
  • 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: 4.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 400.8±45.0 °C at 760 mmHg
  • Flash Point: 160.8±16.7 °C
  • PSA: 37.30000
  • LogP: 4.15270

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid Security Information

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid Pricemore >>

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2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid Related Literature

Additional information on 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid

2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic Acid (CAS No. 1261893-13-3): A Comprehensive Overview

The compound 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid, identified by the CAS number 1261893-13-3, is a structurally complex organic molecule with significant potential in various scientific and industrial applications. This benzoic acid derivative features a chlorine atom at the 2-position of the benzene ring and a fluorine-substituted methyl group at the 4-position of the phenyl ring. The presence of these substituents imparts unique chemical and physical properties to the molecule, making it a subject of interest in both academic research and industrial development.

Recent studies have highlighted the importance of 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid in the field of medicinal chemistry. Researchers have explored its potential as a lead compound for drug development, particularly in the design of anti-inflammatory and anticancer agents. The molecule's ability to interact with specific biological targets, such as enzymes and receptors, has been extensively investigated using computational modeling and in vitro assays. These studies have demonstrated promising results, suggesting that this compound could serve as a foundation for developing novel therapeutic agents.

In addition to its pharmacological applications, 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid has also gained attention in materials science. Its unique electronic properties make it a candidate for use in organic electronics, such as in the development of semiconducting materials and optoelectronic devices. Recent advancements in synthetic methodologies have enabled the efficient synthesis of this compound, facilitating its integration into material science research.

The synthesis of 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid involves a series of carefully controlled organic reactions. Key steps include Friedel-Crafts acylation, followed by halogenation and oxidation processes. The optimization of these steps has been a focus of recent research, with scientists exploring greener and more sustainable methods to produce this compound on an industrial scale.

From an environmental perspective, understanding the fate and toxicity of 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid is crucial. Studies have been conducted to assess its biodegradability and potential impact on aquatic ecosystems. These investigations are essential for ensuring that any industrial applications of this compound are environmentally responsible.

In conclusion, 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid (CAS No. 1261893-13-3) is a versatile compound with diverse applications across multiple scientific disciplines. Its role as a potential drug lead, its contribution to materials science advancements, and its environmental considerations highlight its significance in contemporary research. As ongoing studies continue to uncover new insights into its properties and applications, this compound is poised to play an increasingly important role in both academic and industrial settings.

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