Cas no 1261912-67-7 (2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid)

2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid is a specialized aromatic carboxylic acid derivative featuring both chloro and fluoro substituents, along with a methoxycarbonyl functional group. This compound is of interest in pharmaceutical and agrochemical research due to its structural complexity, which allows for versatile reactivity in synthesis. The presence of electron-withdrawing groups enhances its utility as an intermediate in cross-coupling reactions or further functionalization. Its well-defined molecular architecture makes it suitable for applications requiring precise steric and electronic properties. The compound is typically characterized by high purity and stability, ensuring consistent performance in advanced chemical processes.
2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid structure
1261912-67-7 structure
Product Name:2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid
CAS No:1261912-67-7
MF:C15H10ClFO4
MW:308.688907146454
MDL:MFCD18322174
CID:1219201
PubChem ID:53228004
Update Time:2025-10-30

2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid
    • 2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%
    • DTXSID40691537
    • MFCD18322174
    • 3-Chloro-3'-fluoro-5'-(methoxycarbonyl)[1,1'-biphenyl]-4-carboxylic acid
    • 1261912-67-7
    • MDL： MFCD18322174
    • Inchi： 1S/C15H10ClFO4/c1-21-15(20)10-4-9(5-11(17)6-10)8-2-3-12(14(18)19)13(16)7-8/h2-7H,1H3,(H,18,19)
    • InChI Key： PTTULXMXADMDIF-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)O)C=CC(=C1)C1C=C(C=C(C(=O)OC)C=1)F

Computed Properties

  • Exact Mass: 308.0251647g/mol
  • Monoisotopic Mass: 308.0251647g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 403
  • 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: 3.7
  • Topological Polar Surface Area: 63.6?2

2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329449-5g
2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%; .
 1261912-67-7 95%
5g
 €1159.00 2024-06-08
abcr
AB329449-5 g
2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%; .
 1261912-67-7 95%
5g
 €1159.00 2023-04-26

2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid Related Literature

Related Categories

Additional information on 2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic Acid

Comprehensive Overview of 2-Chloro-4-(3-Fluoro-5-Methoxycarbonylphenyl)Benzoic Acid (CAS No. 1261912-67-7)

2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid (CAS No. 1261912-67-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique chloro, fluoro, and methoxycarbonyl functional groups, serves as a critical intermediate in the synthesis of advanced materials and bioactive molecules. Its molecular structure, combining aromatic rings with halogen substitutions, makes it a versatile building block for drug discovery and material science applications.

In recent years, the demand for halogenated benzoic acid derivatives like 2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid has surged due to their role in developing targeted therapies and sustainable agrochemicals. Researchers are particularly interested in its potential to modulate biological pathways, owing to its electron-withdrawing properties and steric effects. The compound’s CAS No. 1261912-67-7 is frequently searched in academic databases, reflecting its relevance in cutting-edge studies.

One of the most discussed topics in organic chemistry today is the green synthesis of complex molecules. 2-Chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid aligns with this trend, as scientists explore catalyst-free reactions and solvent-free conditions to produce it efficiently. Its methoxycarbonyl group further enhances its utility in bioconjugation, a technique widely used in proteomics and diagnostic imaging.

The compound’s fluorinated aromatic ring is another focal point, as fluorine incorporation improves metabolic stability and bioavailability in drug candidates. This feature resonates with the growing interest in fluorine chemistry, a hot topic in medicinal chemistry forums and patent filings. Additionally, its chloro-substituted benzoic acid core is pivotal for designing herbicides with reduced environmental impact, addressing global concerns about sustainable agriculture.

From a technical perspective, CAS No. 1261912-67-7 is often referenced in studies on structure-activity relationships (SAR). Its molecular weight and logP values are meticulously analyzed to predict its behavior in biological systems. Laboratories worldwide prioritize its high-purity synthesis, as even minor impurities can affect downstream applications in high-throughput screening.

In summary, 2-chloro-4-(3-fluoro-5-methoxycarbonylphenyl)benzoic acid exemplifies the intersection of innovation and practical utility in modern chemistry. Its multifaceted applications—from drug development to crop protection—underscore its importance in addressing contemporary scientific challenges. As research progresses, this compound is poised to remain a keystone in the advancement of life sciences and industrial chemistry.

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