Cas no 1261891-95-5 (5-(3-Ethoxyphenyl)-3-chlorophenol)

5-(3-Ethoxyphenyl)-3-chlorophenol is a chlorinated phenolic compound featuring an ethoxy-substituted phenyl group, which enhances its solubility and reactivity in organic synthesis. The presence of both chloro and ethoxy functional groups allows for versatile applications, including use as an intermediate in pharmaceuticals, agrochemicals, and specialty polymers. Its structural properties facilitate selective modifications, making it valuable for cross-coupling reactions and derivatization. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic processes. Its well-defined molecular structure enables precise control in reactions, contributing to high-purity end products. Suitable for research and industrial applications requiring tailored phenolic derivatives.
5-(3-Ethoxyphenyl)-3-chlorophenol structure
1261891-95-5 structure
Product Name:5-(3-Ethoxyphenyl)-3-chlorophenol
CAS No:1261891-95-5
MF:C14H13ClO2
MW:248.704823255539
MDL:MFCD18315578
CID:2761651
PubChem ID:53221314
Update Time:2025-10-28

5-(3-Ethoxyphenyl)-3-chlorophenol Chemical and Physical Properties

Names and Identifiers

    • DTXSID60685973
    • EKB29099
    • 5-Chloro-3'-ethoxy[1,1'-biphenyl]-3-ol
    • 1261891-95-5
    • 5-(3-Ethoxyphenyl)-3-chlorophenol, 95%
    • 5-(3-ETHOXYPHENYL)-3-CHLOROPHENOL
    • MFCD18315578
    • 5-(3-Ethoxyphenyl)-3-chlorophenol
    • MDL: MFCD18315578
    • Inchi: 1S/C14H13ClO2/c1-2-17-14-5-3-4-10(8-14)11-6-12(15)9-13(16)7-11/h3-9,16H,2H2,1H3
    • InChI Key: ZMKWQXPPVHUFLJ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1)C1C=CC=C(C=1)OCC)O

Computed Properties

  • Exact Mass: 248.0604073Da
  • Monoisotopic Mass: 248.0604073Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 234
  • 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: 29.5?2

5-(3-Ethoxyphenyl)-3-chlorophenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB321779-5 g
5-(3-Ethoxyphenyl)-3-chlorophenol, 95%; .
1261891-95-5 95%
5g
€1159.00 2023-04-26
abcr
AB321779-5g
5-(3-Ethoxyphenyl)-3-chlorophenol, 95%; .
1261891-95-5 95%
5g
€1159.00 2025-04-21

Additional information on 5-(3-Ethoxyphenyl)-3-chlorophenol

Comprehensive Overview of 5-(3-Ethoxyphenyl)-3-chlorophenol (CAS No. 1261891-95-5): Properties, Applications, and Industry Insights

5-(3-Ethoxyphenyl)-3-chlorophenol (CAS 1261891-95-5) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This halogenated phenol derivative combines an ethoxyphenyl moiety with a chlorophenol group, offering versatile reactivity. Recent studies highlight its potential as a building block for drug discovery, particularly in developing antimicrobial agents and enzyme inhibitors. The compound's molecular weight of 248.69 g/mol and lipophilic properties make it valuable for optimizing bioavailability in medicinal chemistry applications.

With growing interest in sustainable chemistry, researchers are exploring green synthesis methods for 5-(3-Ethoxyphenyl)-3-chlorophenol. Its structure-activity relationship (SAR) is being investigated for pesticide formulations, where modified phenols show promise as eco-friendly alternatives to traditional agrochemicals. The compound's CAS registry number 1261891-95-5 serves as a crucial identifier in patent literature and regulatory documentation, reflecting its commercial significance. Analytical techniques like HPLC purification and NMR characterization are essential for quality control during production.

The pharmacophore model of 5-(3-Ethoxyphenyl)-3-chlorophenol suggests potential interactions with biological targets, sparking interest in computational chemistry circles. Molecular docking studies indicate possible affinity for protein binding sites, aligning with current drug design trends focusing on targeted therapies. In material science, its aromatic chlorination pattern enables applications in polymer stabilization and specialty coatings, meeting demand for high-performance materials in electronics and aerospace sectors.

Industrial scale-up of CAS 1261891-95-5 requires optimization of reaction yield and purification protocols. Process chemists emphasize atom economy improvements and waste reduction strategies, responding to green chemistry principles. The compound's thermal stability and solubility profile make it suitable for various formulation technologies, including nanoparticle delivery systems gaining traction in precision agriculture applications.

Emerging research explores structure modification of 5-(3-Ethoxyphenyl)-3-chlorophenol to enhance bioactivity while reducing environmental persistence. Its metabolic pathways and degradation products are subjects of environmental fate studies, addressing concerns about chemical sustainability. The compound's logP value and hydrogen bonding capacity are frequently discussed in QSAR modeling forums, demonstrating its relevance to modern predictive toxicology approaches.

Quality standards for 1261891-95-5 require rigorous impurity profiling using LC-MS techniques, particularly for pharmaceutical intermediates. The ethoxy substitution pattern influences the compound's electronic distribution, a feature exploited in catalysis research and materials engineering. Recent patent filings indicate expanding applications in electronic materials and organic semiconductors, capitalizing on its conjugated system properties.

Supply chain considerations for 5-(3-Ethoxyphenyl)-3-chlorophenol emphasize GMP compliance and batch-to-batch consistency, especially for clinical trial materials. The compound's crystallinity and polymorphism characteristics are critical for formulation scientists developing solid dosage forms. Analytical method development focuses on stability-indicating assays to support product shelf-life determinations, reflecting industry's focus on quality by design principles.

Future directions for CAS 1261891-95-5 research include exploring its structure-property relationships for advanced material applications and investigating synergistic effects in combination therapies. The compound serves as a valuable chemical probe for studying molecular recognition phenomena, contributing to fundamental chemical biology research while maintaining compliance with regulatory guidelines for specialized chemicals.

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