Cas no 886503-84-0 (2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene)

2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene is a fluorinated aromatic compound featuring a chloro, methoxy, and trifluoromethyl substituent on the benzene ring. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the chloro and methoxy substituents offer reactivity for further functionalization. This compound is commonly employed in cross-coupling reactions and as a building block for bioactive molecules. Its high purity and consistent performance ensure reliable results in research and industrial processes. Proper handling is advised due to its halogenated nature.
2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene structure
886503-84-0 structure
Product Name:2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene
CAS No:886503-84-0
MF:C8H6ClF3O
MW:210.580852031708
MDL:MFCD06660322
CID:3142871
PubChem ID:17750815
Update Time:2025-11-02

2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene
    • 2-Chloro-3-(trifluoromethyl)anisole
    • AKOS015956553
    • 886503-84-0
    • JS-4499
    • CS-0359139
    • KVAHJTNAVKFFGK-UHFFFAOYSA-N
    • SCHEMBL13347568
    • MFCD06660322
    • MDL: MFCD06660322
    • Inchi: 1S/C8H6ClF3O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3
    • InChI Key: KVAHJTNAVKFFGK-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=CC=1C(F)(F)F)OC

Computed Properties

  • Exact Mass: 210.0059270g/mol
  • Monoisotopic Mass: 210.0059270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 171
  • 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: 3.4
  • Topological Polar Surface Area: 9.2?2

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Additional information on 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene

Comprehensive Overview of 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene (CAS No. 886503-84-0)

2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene (CAS No. 886503-84-0) is a specialized aromatic compound widely utilized in pharmaceutical, agrochemical, and material science research. This compound, featuring a unique trifluoromethyl group and methoxy substitution, has garnered significant attention due to its versatile applications in organic synthesis and drug discovery. Researchers and industry professionals frequently search for terms like "2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene synthesis", "CAS 886503-84-0 applications", and "trifluoromethyl benzene derivatives", reflecting its growing relevance in modern chemistry.

The molecular structure of 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene combines electron-withdrawing (trifluoromethyl) and electron-donating (methoxy) groups, making it a valuable intermediate for designing bioactive molecules. Recent studies highlight its role in developing fluorinated pharmaceuticals, a trending topic in medicinal chemistry due to the enhanced metabolic stability and bioavailability imparted by fluorine atoms. Searches for "fluorine in drug design" and "trifluoromethyl benzene uses" underscore this connection.

In agrochemical applications, CAS 886503-84-0 serves as a precursor for herbicides and pesticides, aligning with the global demand for sustainable crop protection solutions. The compound’s stability under environmental conditions makes it a candidate for "green chemistry" innovations—a frequently searched term among environmentally conscious researchers. Its compatibility with catalytic reactions (another popular keyword) further enhances its appeal in industrial processes.

From a synthetic perspective, 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene is often prepared via electrophilic aromatic substitution or cross-coupling reactions, methodologies widely discussed in academic forums. Queries like "how to introduce trifluoromethyl groups" and "methoxy benzene derivatives" reflect user interest in its preparation. Advanced techniques such as flow chemistry (a hot topic in process optimization) are also being explored to scale up its production efficiently.

The compound’s physicochemical properties—including its boiling point, solubility, and spectral data (common analytical search terms)—are critical for quality control. Analytical methods like HPLC, NMR, and GC-MS are typically employed for characterization, addressing frequent user questions about "CAS 886503-84-0 purity analysis". These details are vital for compliance with regulatory standards in pharmaceuticals and chemicals.

Emerging trends in material science have also spotlighted 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene as a building block for organic electronic materials. With rising searches for "fluorinated polymers" and "high-performance materials", its role in developing flexible displays or conductive films aligns with cutting-edge research. This interdisciplinary potential makes it a compound of interest across multiple high-growth sectors.

In summary, 2-Chloro-1-Methoxy-3-(trifluoromethyl)benzene (CAS No. 886503-84-0) bridges fundamental research and industrial innovation. Its adaptability to green synthesis, relevance in drug discovery, and applications in advanced materials position it as a key player in contemporary chemistry. By addressing frequently searched keywords and integrating current scientific trends, this overview aims to serve as a trusted resource for professionals navigating its multifaceted uses.

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