Cas no 1214346-03-8 (2-Chloro-4-methoxy-1-(trifluoromethyl)benzene)

2-Chloro-4-methoxy-1-(trifluoromethyl)benzene is an aromatic compound characterized by a benzene ring substituted with specific functional groups: chlorine at position 2, methoxy at position 4, and trifluoromethyl at position 1. The trifluoromethyl group imparts significant electron-withdrawing effects through both induction and resonance withdrawal due to the electronegative fluorine atoms. This electronic modulation influences reactivity in electrophilic aromatic substitution reactions compared to unsubstituted benzene or those with different substituents. The methoxy group provides moderate electron donation relative to other groups like nitro or cyano, while the chlorine atom can act as an ortho/para director under certain conditions but may also withdraw electrons through induction. These combined structural features contribute to its utility as an intermediate in organic synthesis and potentially influence its physical properties like solubility or melting point compared to simpler analogues.
2-Chloro-4-methoxy-1-(trifluoromethyl)benzene structure
1214346-03-8 structure
Product Name:2-Chloro-4-methoxy-1-(trifluoromethyl)benzene
CAS No:1214346-03-8
MF:C8H6ClF3O
MW:210.580852031708
CID:4686214
Update Time:2025-06-16

2-Chloro-4-methoxy-1-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-methoxy-1-(trifluoromethyl)benzene
    • 3-Chloro-4-(trifluoromethyl)anisole
    • 2-Chloro-4-methoxy-1-(trifluoromethyl)benzene
    • Inchi: 1S/C8H6ClF3O/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
    • InChI Key: LORORRDOJJNXKY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C(F)(F)F)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 171
  • Topological Polar Surface Area: 9.2

2-Chloro-4-methoxy-1-(trifluoromethyl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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1214346-03-8 97%
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$470.40 2023-09-04
Alichem
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Additional information on 2-Chloro-4-methoxy-1-(trifluoromethyl)benzene

Comprehensive Overview of 2-Chloro-4-methoxy-1-(trifluoromethyl)benzene (CAS No. 1214346-03-8): Properties, Applications, and Industry Insights

2-Chloro-4-methoxy-1-(trifluoromethyl)benzene (CAS No. 1214346-03-8) is a specialized aromatic compound that has garnered significant attention in pharmaceutical, agrochemical, and material science research. This halogenated benzene derivative, characterized by its methoxy and trifluoromethyl functional groups, offers unique reactivity and stability, making it a valuable intermediate in synthetic chemistry. Its molecular structure, C8H6ClF3O, combines electron-withdrawing and electron-donating substituents, enabling diverse applications in modern organic synthesis.

In recent years, the demand for fluorinated compounds like 2-Chloro-4-methoxy-1-(trifluoromethyl)benzene has surged due to their role in developing bioactive molecules and advanced materials. Researchers frequently search for "trifluoromethyl benzene derivatives uses" or "halogenated aromatic compounds in drug discovery," reflecting the compound's relevance in cutting-edge science. Its meta-substitution pattern and lipophilicity-enhancing properties are particularly valued in medicinal chemistry for optimizing drug candidates' pharmacokinetic profiles.

The synthesis of CAS 1214346-03-8 typically involves electrophilic aromatic substitution or cross-coupling reactions, with process optimization being a hot topic in organic chemistry forums. Environmental considerations have also driven interest in "green synthesis of halogenated aromatics," prompting innovations in catalytic methods and solvent selection. Analytical techniques such as GC-MS, HPLC, and NMR spectroscopy are essential for quality control, with purity thresholds often exceeding 98% for pharmaceutical-grade material.

Beyond pharmaceuticals, this compound finds utility in liquid crystal formulations and organic electronic materials, where its thermal stability and electronic properties are exploited. Industry trends show growing searches for "fluorinated building blocks for OLEDs" and "high-performance specialty chemicals," aligning with the compound's versatility. Regulatory compliance with REACH and other global chemical inventories ensures its safe handling and commercial availability.

Storage recommendations for 2-Chloro-4-methoxy-1-(trifluoromethyl)benzene emphasize protection from moisture and light, typically in amber glass containers under inert atmosphere. The compound's physicochemical properties—including melting point, boiling point, and solubility parameters—are critical data points for process chemists, frequently appearing in technical datasheets and patent literature. Recent publications have explored its use in metal-organic frameworks (MOFs) and catalysis, expanding its potential applications.

Market analysts note increasing investment in fluorine chemistry infrastructure to meet demand from Asia-Pacific and North American markets. The compound's role in developing next-generation agrochemicals with improved environmental profiles responds to sustainability concerns, a trending topic in chemical industry webinars. Quality standards like USP/EP grade specifications and GMP manufacturing protocols further underscore its importance in regulated applications.

Future research directions may explore continuous flow chemistry approaches for scalable production and computational modeling to predict novel derivatives. The compound's structure-activity relationships continue to be investigated through collaborative studies between academia and industry, addressing search queries like "QSAR studies of chloro-methoxy benznes." As synthetic methodologies advance, CAS 1214346-03-8 remains a focal point for innovation in fine chemical development.

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