Cas no 938315-53-8 (5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid)

5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid is a chlorinated aromatic compound featuring a benzoic acid core substituted with a 5-chloro group and a 2,4-dichlorobenzyl ether moiety. This structure imparts unique chemical properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its halogenated aromatic system enhances reactivity in electrophilic substitution and coupling reactions, while the carboxylic acid functionality allows for further derivatization. The compound's stability under standard conditions and well-defined reactivity profile make it suitable for controlled synthetic applications. Its purity and structural specificity ensure consistent performance in complex organic transformations, particularly in the development of bioactive molecules.
5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid structure
938315-53-8 structure
Product Name:5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid
CAS No:938315-53-8
MF:C14H9Cl3O3
MW:331.578461408615
MDL:MFCD09722184
CID:3047177
PubChem ID:8707091
Update Time:2025-11-02

5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-[(2,4-dichlorobenzyl)oxy]benzoic acid
    • Benzoic acid, 5-chloro-2-[(2,4-dichlorophenyl)methoxy]-
    • 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic Acid
    • 5-Chloro-2-((2,4-dichlorobenzyl)oxy)benzoicacid
    • 938315-53-8
    • 5-Chloro-2-((2,4-dichlorobenzyl)oxy)benzoic acid
    • STK501036
    • CS-0367118
    • AKOS005061933
    • 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid
    • MDL: MFCD09722184
    • Inchi: 1S/C14H9Cl3O3/c15-9-3-4-13(11(5-9)14(18)19)20-7-8-1-2-10(16)6-12(8)17/h1-6H,7H2,(H,18,19)
    • InChI Key: SBWWUUJBJQZCPG-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC(Cl)=CC=C1OCC1=CC=C(Cl)C=C1Cl

Computed Properties

  • Exact Mass: 329.961727g/mol
  • Monoisotopic Mass: 329.961727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 340
  • 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: 4.8
  • Topological Polar Surface Area: 46.5?2

5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid Pricemore >>

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Additional information on 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid

5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid (CAS No. 938315-53-8): A Comprehensive Overview

5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid (CAS No. 938315-53-8) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and agrochemical development. This chlorinated benzoic acid derivative is characterized by its unique molecular structure, which combines a benzoic acid core with chloro and dichlorobenzyl substituents. The compound's systematic name reflects its precise chemical architecture, making it a subject of interest for researchers exploring novel bioactive molecules.

The molecular formula of 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid is C14H9Cl3O3, with a molecular weight of 331.58 g/mol. Its structural features include a chloro-substituted benzoic acid moiety and a (2,4-dichlorobenzyl)oxy group at the 2-position, which contribute to its distinct physicochemical properties. The compound typically appears as a white to off-white crystalline powder with moderate solubility in organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO), while exhibiting limited solubility in water.

In recent years, 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid has emerged as a valuable intermediate in medicinal chemistry. Researchers have investigated its potential as a building block for the synthesis of various pharmaceutical compounds, particularly those targeting inflammatory pathways. The compound's chlorinated aromatic system provides excellent stability and the ability to interact with biological targets, making it a promising candidate for drug discovery programs. Current studies focus on its derivatization to create molecules with enhanced bioavailability and target specificity.

The agrochemical industry has shown growing interest in 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid and its derivatives as potential crop protection agents. Its structural motifs resemble those found in several commercial fungicides and herbicides, prompting investigations into its biological activity against plant pathogens. Recent patent literature suggests applications in developing new-generation agricultural chemicals with improved environmental profiles and reduced resistance development in target organisms.

From a synthetic chemistry perspective, 938315-53-8 serves as an important scaffold for creating diverse chemical libraries. The presence of multiple reactive sites allows for selective modifications, enabling medicinal chemists to explore structure-activity relationships. Common synthetic routes involve the O-alkylation of appropriate phenolic precursors followed by carboxylation or hydrolysis steps. Process optimization studies continue to improve the yield and purity of this valuable intermediate.

Analytical characterization of 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid typically employs advanced techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry. These methods ensure precise identification and quantification of the compound, meeting the stringent quality requirements of pharmaceutical applications. Recent advancements in analytical technology have enabled more sensitive detection of impurities and degradation products.

The stability profile of CAS 938315-53-8 has been extensively studied under various environmental conditions. Research indicates that the compound demonstrates good thermal stability within typical storage temperature ranges, though protection from prolonged exposure to strong light is recommended. Proper handling procedures include storage in tightly sealed containers under inert atmosphere when long-term preservation is required.

Market trends for 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid reflect the growing demand for specialized chemical intermediates in the life sciences sector. Pharmaceutical companies and contract research organizations represent the primary consumers, with increasing interest from academic research institutions. The global market has seen steady growth, particularly in regions with strong pharmaceutical manufacturing capabilities such as North America, Europe, and parts of Asia.

Regulatory aspects surrounding 938315-53-8 vary by jurisdiction, but generally follow standard protocols for research chemicals. Manufacturers and distributors typically provide comprehensive safety data sheets (SDS) that detail proper handling, storage, and disposal procedures. As with all chemical substances, appropriate personal protective equipment (PPE) should be used when working with this compound in laboratory settings.

Future research directions for 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid include exploration of its potential in drug discovery pipelines and development of more sustainable synthetic routes. The compound's versatility as a chemical building block continues to attract attention from both academic and industrial researchers. Emerging applications in materials science and specialty chemicals may further expand its utility beyond current pharmaceutical and agrochemical uses.

For researchers seeking high-quality 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid, several reputable chemical suppliers offer the compound in various quantities and purity grades. Typical specifications include ≥95% or ≥98% purity by HPLC analysis, with options for customized packaging and documentation to meet specific research requirements. Comparative studies of different synthetic batches help ensure consistency in biological testing and formulation development.

Environmental considerations for CAS 938315-53-8 follow standard protocols for aromatic chlorinated compounds. While not classified as highly hazardous, proper waste management practices should be observed to minimize environmental impact. Recent developments in green chemistry aim to reduce the ecological footprint of compounds in this class through improved synthetic methodologies and waste treatment processes.

The scientific literature contains numerous references to 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid and its derivatives, reflecting its importance in contemporary chemical research. Key publications describe synthetic methods, spectroscopic characterization, and biological evaluation of related compounds. Patent databases reveal ongoing innovation in applications of this chemical scaffold across multiple industries.

In conclusion, 5-Chloro-2-(2,4-dichlorobenzyl)oxybenzoic Acid (CAS No. 938315-53-8) represents a versatile and valuable chemical entity with significant potential in pharmaceutical and agrochemical research. Its unique structural features and demonstrated utility as a synthetic intermediate ensure its continued relevance in scientific exploration. As research methodologies advance and new applications emerge, this compound will likely maintain its position as an important tool in the chemist's repertoire.

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