Cas no 1261723-63-0 (3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl)

3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl is a fluorinated biphenyl derivative characterized by its unique halogenated substituents, including chloro, difluoromethoxy, and trifluoromethoxy functional groups. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of bioactive molecules. The presence of fluorine atoms enhances metabolic stability and lipophilicity, which can improve bioavailability in drug development. Its rigid biphenyl core allows for precise structural modifications, making it valuable in designing selective enzyme inhibitors or receptor ligands. The compound's stability under various reaction conditions further supports its utility in multi-step synthetic processes.
3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl structure
1261723-63-0 structure
Product Name:3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl
CAS No:1261723-63-0
MF:C14H8ClF5O2
MW:338.657140731812
CID:4990256
Update Time:2025-06-11

3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl
    • Inchi: 1S/C14H8ClF5O2/c15-11-7-9(4-5-12(11)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H
    • InChI Key: XFYFFPONSGFCQF-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C1C=CC=C(C=1)OC(F)(F)F)OC(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 353
  • XLogP3: 6.3
  • Topological Polar Surface Area: 18.5

3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011012000-250mg
3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl
1261723-63-0 97%
250mg
$494.40 2023-09-03
Alichem
A011012000-500mg
3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl
1261723-63-0 97%
500mg
$863.90 2023-09-03
Alichem
A011012000-1g
3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl
1261723-63-0 97%
1g
$1534.70 2023-09-03

Additional information on 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl

Comprehensive Analysis of 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl (CAS No. 1261723-63-0)

The compound 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl (CAS No. 1261723-63-0) is a fluorinated biphenyl derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. With the increasing demand for fluorinated compounds in drug discovery, this molecule stands out for its potential applications in medicinal chemistry and material science. Its distinct combination of chloro, difluoromethoxy, and trifluoromethoxy substituents makes it a valuable intermediate for synthesizing more complex molecules.

Recent studies highlight the growing interest in fluorinated aromatic compounds, particularly in the development of bioactive molecules. The presence of fluorine atoms in 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl enhances its metabolic stability and lipophilicity, key factors in optimizing drug candidates. Researchers are actively exploring its role in central nervous system (CNS) therapeutics and anti-inflammatory agents, aligning with current trends in precision medicine.

From a synthetic perspective, this compound is often utilized in Suzuki-Miyaura cross-coupling reactions, a widely adopted method for constructing biphenyl scaffolds. Its electron-withdrawing groups facilitate selective functionalization, making it a versatile building block for heterocyclic chemistry. The agrochemical industry also shows interest due to its potential as a precursor for crop protection agents, addressing global concerns about food security and sustainable agriculture.

Environmental and green chemistry considerations are increasingly shaping the discourse around such compounds. The persistence of fluorinated molecules in ecosystems has led to innovations in biodegradable alternatives, though 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl remains relevant due to its low ecotoxicity profile. Analytical techniques like HPLC-MS and NMR spectroscopy are critical for characterizing its purity, a frequent query among quality control professionals.

Market trends indicate rising procurement of this compound by contract research organizations (CROs) and academic laboratories, driven by its utility in high-throughput screening. Patent literature reveals its incorporation in OLED materials, tapping into the booming flexible electronics sector. As regulatory frameworks evolve, compliance with REACH and FDA guidelines for fluorochemicals remains a key discussion point.

In conclusion, 3-Chloro-4-(difluoromethoxy)-3'-(trifluoromethoxy)biphenyl exemplifies the convergence of multidisciplinary chemistry. Its applications span from life sciences to advanced materials, reflecting the compound's adaptability to address both current and emerging scientific challenges. Ongoing research continues to uncover novel derivatives, positioning it as a cornerstone in structure-activity relationship (SAR) studies.

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