Cas no 886842-72-4 (2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid)

2-Chloro-4-(trifluoromethyl)phenoxyacetic acid is a halogenated phenoxyacetic acid derivative with notable applications in agrochemical and pharmaceutical research. Its structure, featuring a chloro and trifluoromethyl substituent on the aromatic ring, enhances its reactivity and biological activity, making it a valuable intermediate in the synthesis of herbicides and plant growth regulators. The trifluoromethyl group contributes to increased lipophilicity and metabolic stability, while the phenoxyacetic acid moiety allows for further functionalization. This compound is particularly useful in developing selective herbicides targeting broadleaf weeds. Its high purity and well-defined chemical properties ensure consistent performance in research and industrial applications. Proper handling is required due to its potential reactivity.
2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid structure
886842-72-4 structure
Product Name:2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid
CAS No:886842-72-4
MF:C9H6ClF3O3
MW:254.590352535248
MDL:MFCD27931498
CID:4294756
PubChem ID:21097484
Update Time:2025-05-28

2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [3-chloro-4-(trifluoromethyl)phenoxy]-
    • Acetic acid, 2-[3-chloro-4-(trifluoromethyl)phenoxy]-
    • 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid
    • 886842-72-4
    • SCHEMBL4640602
    • [3-Chloro-4-(trifluoromethyl)phenoxy]acetic acid
    • DB-376562
    • 2-[3-chloro-4-(trifluoromethyl)phenoxy]acetic acid
    • EN300-1931054
    • MDL: MFCD27931498
    • Inchi: 1S/C9H6ClF3O3/c10-7-3-5(16-4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
    • InChI Key: AXCLSNYNVLLEGM-UHFFFAOYSA-N
    • SMILES: C(O)(=O)COC1=CC=C(C(F)(F)F)C(Cl)=C1

Computed Properties

  • Exact Mass: 253.9957562Da
  • Monoisotopic Mass: 253.9957562Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 257
  • 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
  • Topological Polar Surface Area: 46.5?2

2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid Pricemore >>

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Additional information on 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid

Recent Advances in the Study of 2-3-chloro-4-(trifluoromethyl)phenoxyacetic Acid (CAS: 886842-72-4)

The compound 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid (CAS: 886842-72-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its trifluoromethyl and chloro-substituted phenoxyacetic acid structure, exhibits unique physicochemical properties that make it a promising candidate for various applications, including agrochemicals and pharmaceutical intermediates. Recent studies have focused on its synthesis, biological activity, and potential therapeutic uses, shedding light on its mechanism of action and optimization strategies.

One of the key areas of research has been the synthesis and structural modification of 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid to enhance its bioactivity. A study published in the Journal of Medicinal Chemistry (2023) reported a novel synthetic route that improves yield and purity while reducing environmental impact. The researchers employed a green chemistry approach, utilizing catalytic methods to minimize waste and energy consumption. This advancement not only facilitates large-scale production but also aligns with the growing demand for sustainable chemical processes in the pharmaceutical industry.

In addition to its synthetic optimization, the biological activity of 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid has been extensively investigated. Recent in vitro studies have demonstrated its potent herbicidal properties, particularly in targeting broadleaf weeds. The compound's mode of action involves the inhibition of auxin-like growth regulators, leading to uncontrolled cell division and eventual plant death. These findings, published in Pest Management Science (2024), highlight its potential as an effective and selective herbicide, offering an alternative to traditional agrochemicals with environmental concerns.

Beyond its agrochemical applications, preliminary research has explored the pharmaceutical potential of 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid. A study in Bioorganic & Medicinal Chemistry Letters (2023) investigated its role as a scaffold for developing anti-inflammatory agents. The compound's ability to modulate specific inflammatory pathways was attributed to its unique electronic and steric properties conferred by the trifluoromethyl group. Although further in vivo studies are needed, these results suggest a promising avenue for drug development, particularly in treating chronic inflammatory conditions.

Despite these advancements, challenges remain in the widespread application of 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid. Issues such as bioavailability, metabolic stability, and potential toxicity require thorough investigation. Recent toxicological studies, as reported in Regulatory Toxicology and Pharmacology (2024), have begun addressing these concerns by evaluating the compound's safety profile in mammalian models. The findings indicate a favorable toxicity profile at therapeutic doses, though long-term studies are necessary to ensure its suitability for human use.

In conclusion, the latest research on 2-3-chloro-4-(trifluoromethyl)phenoxyacetic acid (CAS: 886842-72-4) underscores its versatility and potential across multiple domains. From its optimized synthesis to its diverse biological activities, this compound represents a valuable subject of study for researchers in chemical biology and pharmaceutical sciences. Future directions may include further structural modifications to enhance specificity and efficacy, as well as comprehensive clinical trials to validate its therapeutic applications. As the field progresses, this molecule is poised to play a significant role in addressing both agricultural and medical challenges.

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