Cas no 392309-26-1 (Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)-)

Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- is a fluorinated aromatic compound featuring a trifluoromethyl substitution pattern and a benzyl ether functional group. Its unique structure imparts enhanced electron-withdrawing properties and stability, making it valuable in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. The presence of fluorine atoms improves metabolic resistance and lipophilicity, which can be advantageous in drug design. The phenylmethoxy group offers further synthetic versatility, enabling selective functionalization. This compound is typically used as an intermediate in fine chemical synthesis, where precise control over electronic and steric effects is required. Handling should adhere to standard safety protocols for fluorinated aromatics.
Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- structure
392309-26-1 structure
Product Name:Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)-
CAS No:392309-26-1
MF:C13H9F3O
MW:238.205174207687
MDL:MFCD26684406
CID:1502855
PubChem ID:83396906
Update Time:2025-05-27

Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)-
    • 392309-26-1
    • 1-(Benzyloxy)-2,3,4-trifluorobenzene
    • 1,2,3-trifluoro-4-phenylmethoxybenzene
    • PCEWMCPZCWGCIT-UHFFFAOYSA-N
    • 1-benzyloxy-2,3,4-trifluorobenzene
    • MFCD26684406
    • E93069
    • SCHEMBL15129422
    • CS-0192590
    • MDL： MFCD26684406
    • Inchi： 1S/C13H9F3O/c14-10-6-7-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8H2
    • InChI Key： PCEWMCPZCWGCIT-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C=CC=1OCC1C=CC=CC=1)F)F

Computed Properties

  • Exact Mass: 238.06057
  • Monoisotopic Mass: 238.06054939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 231
  • 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: 3.7
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- Pricemore >>

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Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- Related Literature

Additional information on Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)-

Comprehensive Overview of Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- (CAS No. 392309-26-1)

Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- (CAS No. 392309-26-1) is a fluorinated aromatic compound with significant applications in organic synthesis and material science. This compound, characterized by its unique trifluoro and phenylmethoxy functional groups, has garnered attention for its potential in pharmaceuticals, agrochemicals, and advanced materials. Its molecular structure, combining fluorine atoms and a benzyl ether moiety, offers distinct reactivity and stability, making it a valuable intermediate in synthetic chemistry.

The growing interest in fluorinated compounds like Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- stems from their enhanced bioavailability and metabolic stability, which are critical in drug design. Researchers and industries are increasingly exploring CAS No. 392309-26-1 for its potential in developing next-generation therapeutics and high-performance materials. Its ability to modulate electronic properties and lipophilicity makes it a versatile building block in medicinal chemistry.

In the context of sustainable chemistry, Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- aligns with the demand for eco-friendly synthetic routes. The compound's stability under various conditions reduces waste generation, addressing the green chemistry principles. Additionally, its applications in liquid crystals and OLED materials highlight its role in advancing display technologies, a hot topic in the electronics industry.

From a safety and handling perspective, CAS No. 392309-26-1 requires standard laboratory precautions. While not classified as hazardous, proper ventilation and personal protective equipment (PPE) are recommended during its use. This aligns with the broader industry focus on occupational health and chemical safety, which are frequently searched topics among professionals.

The synthesis of Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- typically involves electrophilic aromatic substitution and etherification reactions, leveraging the reactivity of fluorine atoms. Recent advancements in catalytic methods have improved the efficiency of its production, reducing costs and environmental impact. These developments are particularly relevant to researchers searching for optimized synthetic protocols and cost-effective chemical intermediates.

In summary, Benzene, 1,2,3-trifluoro-4-(phenylmethoxy)- (CAS No. 392309-26-1) is a multifaceted compound with broad applications in pharmaceuticals, materials science, and sustainable chemistry. Its unique properties and adaptability to modern synthetic challenges make it a subject of ongoing research and industrial interest. As the demand for fluorinated aromatic compounds grows, this compound is poised to play a pivotal role in shaping future innovations.

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