Cas no 700804-01-9 (Phenol, 2-(difluoromethoxy)-5-nitro-)

Phenol, 2-(difluoromethoxy)-5-nitro- structure
700804-01-9 structure
Product Name:Phenol, 2-(difluoromethoxy)-5-nitro-
CAS No:700804-01-9
MF:C7H5F2NO4
MW:205.115709066391
CID:1741338
PubChem ID:58976277
Update Time:2025-10-29

Phenol, 2-(difluoromethoxy)-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-(difluoromethoxy)-5-nitro-
    • SCHEMBL2089645
    • 3-Hydroxy-4-(difluoromethoxy)nitrobenzene
    • 700804-01-9
    • 2-difluoromethoxy-5-nitro-phenol
    • Inchi: 1S/C7H5F2NO4/c8-7(9)14-6-2-1-4(10(12)13)3-5(6)11/h1-3,7,11H
    • InChI Key: FQIREEMBSKSFIA-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(=CC=1O)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 205.01865
  • Monoisotopic Mass: 205.01866396g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 2.9
  • Topological Polar Surface Area: 75.3?2

Experimental Properties

  • PSA: 72.6

Phenol, 2-(difluoromethoxy)-5-nitro- Pricemore >>

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Additional information on Phenol, 2-(difluoromethoxy)-5-nitro-

Phenol, 2-(difluoromethoxy)-5-nitro- (CAS No. 700804-01-9): Properties, Applications, and Market Insights

Phenol, 2-(difluoromethoxy)-5-nitro- (CAS No. 700804-01-9) is a specialized nitrophenol derivative with unique chemical properties due to the presence of both difluoromethoxy and nitro functional groups. This compound has garnered attention in pharmaceutical and agrochemical research, particularly in the development of novel bioactive molecules. Its molecular structure combines the reactivity of phenolic compounds with the electron-withdrawing effects of fluorine and nitro groups, making it a valuable intermediate in organic synthesis.

The 2-(difluoromethoxy)-5-nitrophenol structure exhibits distinct physicochemical characteristics, including moderate solubility in polar organic solvents and stability under controlled conditions. Researchers have explored its potential as a building block for drug discovery, especially in designing enzyme inhibitors and antimicrobial agents. Recent studies suggest possible applications in developing treatments for resistant bacterial strains, aligning with current global concerns about antibiotic resistance—a top search topic in medical and chemical databases.

In material science, Phenol, 2-(difluoromethoxy)-5-nitro- has shown promise as a precursor for advanced fluorinated polymers. The incorporation of fluorine atoms enhances thermal stability and chemical resistance, properties highly sought after in high-performance coatings and electronic materials. This connects with growing industry interest in sustainable fluorochemistry, another trending search term among chemical professionals.

The synthesis of 700804-01-9 typically involves selective nitration and fluoromethylation steps, requiring precise control of reaction conditions. Analytical characterization through HPLC, NMR, and mass spectrometry confirms its high purity (>98%), crucial for research applications. Quality control protocols emphasize the absence of hazardous byproducts, addressing another frequent search concern about chemical purity standards.

Market analysis indicates rising demand for difluoromethoxy-containing compounds in Asia-Pacific research centers, particularly in Japan and South Korea. This correlates with increased patent filings for fluorinated pharmaceuticals in these regions. The compound's price stability and commercial availability make it accessible for academic and industrial laboratories exploring next-generation medicinal chemistry approaches.

Environmental considerations regarding nitrophenol derivatives have led to improved handling guidelines for 2-(difluoromethoxy)-5-nitrophenol. Modern green chemistry principles are being applied to its synthesis and disposal, responding to frequent queries about eco-friendly chemical processes. The compound's biodegradation pathways are currently under study to ensure compliance with evolving environmental regulations.

Future research directions for Phenol, 2-(difluoromethoxy)-5-nitro- include exploring its photophysical properties for potential applications in organic electronics and investigating its metabolic pathways in biological systems. These developments align with trending searches about multifunctional chemical intermediates and their role in advancing both materials science and life sciences.

For researchers working with CAS 700804-01-9, proper storage in amber glass containers under inert atmosphere is recommended to maintain stability. Technical databases show increasing searches for specialty phenol derivatives, reflecting growing interest in this chemical class. The compound's safety profile and handling requirements are well-documented, addressing another common search concern among laboratory professionals.

The unique combination of fluorine and nitro substituents in 2-(difluoromethoxy)-5-nitrophenol creates opportunities for hydrogen bonding and electronic interactions that are valuable in molecular recognition applications. This has sparked interest in its use for developing chemical sensors—a hot topic in analytical chemistry forums and search queries.

As regulatory landscapes evolve, Phenol, 2-(difluoromethoxy)-5-nitro- continues to meet current safety standards for research chemicals. Its commercial suppliers typically provide comprehensive technical data sheets and analytical certificates, information frequently searched by quality control specialists. The compound represents an excellent example of how targeted molecular modifications can create valuable research tools with diverse potential applications.

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