Cas no 1261995-26-9 (2-(2-Chloro-4-ethoxyphenyl)benzoic acid)

2-(2-Chloro-4-ethoxyphenyl)benzoic acid is a substituted benzoic acid derivative featuring a chloro and ethoxy functional group on the phenyl ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural properties, including the electron-withdrawing chloro group and electron-donating ethoxy group, make it a versatile building block for designing more complex molecules. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined reactivity profile allows for selective modifications, enabling applications in medicinal chemistry and material science. High-purity grades are available to ensure reproducibility in research and industrial processes.
2-(2-Chloro-4-ethoxyphenyl)benzoic acid structure
1261995-26-9 structure
Product Name:2-(2-Chloro-4-ethoxyphenyl)benzoic acid
CAS No:1261995-26-9
MF:C15H13ClO3
MW:276.714923620224
MDL:MFCD18312707
CID:2622350
PubChem ID:53218434
Update Time:2025-10-30

2-(2-Chloro-4-ethoxyphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-CHLORO-4-ETHOXYPHENYL)BENZOIC ACID
    • 1261995-26-9
    • MFCD18312707
    • 2'-Chloro-4'-ethoxy[1,1'-biphenyl]-2-carboxylic acid
    • 2-(2-Chloro-4-ethoxyphenyl)benzoic acid, 95%
    • DTXSID80683375
    • 2-(2-Chloro-4-ethoxyphenyl)benzoic acid
    • MDL: MFCD18312707
    • Inchi: 1S/C15H13ClO3/c1-2-19-10-7-8-12(14(16)9-10)11-5-3-4-6-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18)
    • InChI Key: WUXHKKQDXBUTQL-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C1C=CC=CC=1C(=O)O)OCC

Computed Properties

  • Exact Mass: 276.0553220Da
  • Monoisotopic Mass: 276.0553220Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 308
  • 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: 4.4
  • Topological Polar Surface Area: 46.5?2

2-(2-Chloro-4-ethoxyphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318530-5 g
2-(2-Chloro-4-ethoxyphenyl)benzoic acid, 95%; .
1261995-26-9 95%
5g
€1,159.00 2022-06-11
abcr
AB318530-5g
2-(2-Chloro-4-ethoxyphenyl)benzoic acid, 95%; .
1261995-26-9 95%
5g
€1159.00 2025-04-21

Additional information on 2-(2-Chloro-4-ethoxyphenyl)benzoic acid

2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid: A Comprehensive Overview

2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid, identified by the CAS number 1261995-26-9, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzoic acid moiety with a substituted phenyl group. The presence of a chlorine atom and an ethoxy group on the phenyl ring introduces distinct electronic and steric properties, making it a valuable material for various applications.

The synthesis of 2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid typically involves multi-step organic reactions, including Friedel-Crafts acylation and subsequent functional group transformations. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing the environmental footprint of its production. Researchers have also explored alternative routes using microwave-assisted synthesis, which significantly accelerates reaction times while maintaining high yields.

In terms of physical properties, this compound exhibits a melting point of approximately 185°C and is sparingly soluble in water. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various chemical processes. The compound's UV-Vis spectrum reveals strong absorption bands in the range of 250-300 nm, attributed to the conjugated π-system within the molecule. These optical properties are being investigated for potential applications in optoelectronic devices.

The electronic structure of 2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid has been studied extensively using computational chemistry methods. Density functional theory (DFT) calculations have provided insights into its frontier molecular orbitals, which are critical for understanding its reactivity in chemical reactions. The presence of electron-withdrawing groups like chlorine enhances the acidity of the benzoic acid moiety, making it a promising candidate for use in drug design and catalysis.

Recent studies have highlighted the potential of this compound as a building block for advanced materials. For instance, it has been used as a precursor for synthesizing coordination polymers and metal-organic frameworks (MOFs). These materials exhibit high surface areas and porosity, making them ideal for gas storage and separation applications. Additionally, its ability to form self-assembled monolayers on surfaces has opened avenues for nanotechnology applications.

In the pharmaceutical industry, 2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid is being explored as a lead compound for drug development. Its structural features allow for easy modification to target specific biological pathways. For example, researchers have modified the ethoxy group to enhance bioavailability or alter pharmacokinetic profiles. These efforts are supported by in vitro studies that demonstrate its potential as an anti-inflammatory or anticancer agent.

The environmental impact of this compound is another area of active research. Studies are underway to assess its biodegradability and toxicity under various conditions. Preliminary results suggest that it undergoes microbial degradation under aerobic conditions, reducing its persistence in the environment. However, further investigations are required to fully understand its ecological footprint.

In conclusion, 2-(2-Chloro-4-Ethoxyphenyl)Benzoic Acid is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure, combined with recent advancements in synthesis and characterization techniques, positions it as a valuable material for future innovations. As research continues to uncover new properties and applications, this compound will undoubtedly play an increasingly important role in both academic and industrial settings.

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