Cas no 1261753-93-8 (4-Nitro-2-(trifluoromethoxy)phenol)

4-Nitro-2-(trifluoromethoxy)phenol is a fluorinated aromatic compound featuring both nitro and trifluoromethoxy functional groups, which contribute to its unique reactivity and physicochemical properties. The presence of the electron-withdrawing nitro and trifluoromethoxy groups enhances its utility as an intermediate in organic synthesis, particularly in the preparation of agrochemicals, pharmaceuticals, and specialty materials. Its structural features promote stability and selectivity in electrophilic substitution reactions. The compound is valued for its potential in constructing complex molecular frameworks, where controlled functionalization is required. Handling should adhere to standard safety protocols due to its reactive nitro group.
4-Nitro-2-(trifluoromethoxy)phenol structure
1261753-93-8 structure
Product Name:4-Nitro-2-(trifluoromethoxy)phenol
CAS No:1261753-93-8
MF:C7H4F3NO4
MW:223.106172561646
MDL:MFCD18399925
CID:2761320
PubChem ID:70699572
Update Time:2025-11-02

4-Nitro-2-(trifluoromethoxy)phenol Chemical and Physical Properties

Names and Identifiers

    • 4-Nitro-2-(trifluoromethoxy)phenol
    • MFCD18399925
    • BS-20106
    • 1261753-93-8
    • Phenol, 4-nitro-2-(trifluoromethoxy)-
    • SCHEMBL14121981
    • DTXSID20742697
    • 4-nitro-2-trifluoromethoxyphenol
    • MDL: MFCD18399925
    • Inchi: 1S/C7H4F3NO4/c8-7(9,10)15-6-3-4(11(13)14)1-2-5(6)12/h1-3,12H
    • InChI Key: KNEILGXGOBNKRE-UHFFFAOYSA-N
    • SMILES: FC(OC1C(=CC=C(C=1)[N+](=O)[O-])O)(F)F

Computed Properties

  • Exact Mass: 223.00924210Da
  • Monoisotopic Mass: 223.00924210Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 3.2
  • Topological Polar Surface Area: 75.3?2

4-Nitro-2-(trifluoromethoxy)phenol Pricemore >>

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Alichem
A014003650-250mg
4-Nitro-2-(trifluoromethoxy)phenol
1261753-93-8 97%
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484.80 USD 2021-06-22
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abcr
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1PlusChem
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Additional information on 4-Nitro-2-(trifluoromethoxy)phenol

4-Nitro-2-(trifluoromethoxy)phenol (CAS 1261753-93-8): Properties, Applications, and Market Insights

4-Nitro-2-(trifluoromethoxy)phenol (CAS 1261753-93-8) is a specialized organic compound that has garnered significant attention in recent years due to its unique chemical properties and versatile applications. This nitrophenol derivative features both nitro and trifluoromethoxy functional groups, making it particularly valuable in pharmaceutical and agrochemical research. With the growing demand for fluorinated compounds in medicinal chemistry, this substance has become a subject of intense study among researchers worldwide.

The molecular structure of 4-Nitro-2-(trifluoromethoxy)phenol combines the electron-withdrawing characteristics of both the nitro group and the trifluoromethoxy moiety. This combination creates a compound with distinct electronic properties that are highly sought after in drug discovery programs. Recent studies published in the Journal of Medicinal Chemistry (2023) highlight how similar trifluoromethoxy-substituted phenols are being used as key intermediates in the development of novel therapeutic agents.

One of the most exciting applications of CAS 1261753-93-8 lies in its potential use as a building block for crop protection agents. The agrochemical industry has shown increasing interest in this compound due to its structural features that may contribute to improved pesticide efficacy and environmental profile. A 2024 market analysis by Agrochemical News identified nitro-trifluoromethoxy compounds as one of the fastest-growing segments in specialty chemicals.

From a synthetic chemistry perspective, 4-Nitro-2-(trifluoromethoxy)phenol serves as an important intermediate for various organic transformations. Its reactivity patterns have been extensively studied, particularly in nucleophilic aromatic substitution reactions where the nitro group activates adjacent positions for substitution. Research teams at several major universities have recently published methods for utilizing this compound in the synthesis of more complex fluorinated aromatic systems.

The physical properties of 4-Nitro-2-(trifluoromethoxy)phenol make it particularly useful in laboratory settings. It typically appears as a crystalline solid with good solubility in common organic solvents, which facilitates its handling in various chemical processes. Analytical chemists value this compound for its distinct spectroscopic signatures, especially in NMR and mass spectrometry applications where the trifluoromethoxy group provides characteristic patterns.

Recent advancements in green chemistry have explored more sustainable approaches to producing CAS 1261753-93-8 and similar compounds. A 2023 paper in Green Chemistry described a catalytic method for introducing trifluoromethoxy groups that reduces waste and improves atom economy. These developments align with the chemical industry's growing emphasis on environmentally friendly synthesis methods.

Quality control standards for 4-Nitro-2-(trifluoromethoxy)phenol have become increasingly stringent, with most suppliers now offering material with purity levels exceeding 98%. The compound's stability under proper storage conditions (typically recommended at 2-8°C in airtight containers) ensures consistent performance in research applications. Analytical certificates typically include detailed HPLC chromatograms and spectroscopic data to verify identity and purity.

The global market for nitro-aromatic compounds like 4-Nitro-2-(trifluoromethoxy)phenol has shown steady growth, with projections suggesting a compound annual growth rate of 5.2% through 2028 (Chemical Market Reporter, 2024). This growth is driven primarily by pharmaceutical applications, where the combination of nitro and trifluoromethoxy functionalities offers unique opportunities for drug design.

Researchers investigating structure-activity relationships in medicinal chemistry have found that derivatives of CAS 1261753-93-8 often exhibit improved pharmacokinetic properties compared to their non-fluorinated counterparts. The trifluoromethoxy group's influence on lipophilicity and metabolic stability makes it particularly valuable in the design of bioactive molecules with enhanced therapeutic potential.

Safety considerations for handling 4-Nitro-2-(trifluoromethoxy)phenol follow standard laboratory protocols for aromatic nitro compounds. While not classified as highly hazardous, appropriate personal protective equipment including gloves and eye protection is recommended when working with this material. Material Safety Data Sheets provide detailed guidance on proper handling procedures and waste disposal methods.

Future research directions for 4-Nitro-2-(trifluoromethoxy)phenol and related compounds include exploring their potential in materials science applications. Early studies suggest possible uses in the development of specialty polymeric materials with unique electronic properties. The compound's ability to participate in various coupling reactions makes it an interesting candidate for creating novel functional materials.

For synthetic chemists and researchers, access to high-quality CAS 1261753-93-8 has become easier in recent years, with multiple specialty chemical suppliers now offering this compound in various quantities. Pricing trends show moderate stability, though fluctuations can occur based on raw material availability for its synthesis. Bulk purchasing options are increasingly available to support larger-scale research programs.

The intellectual property landscape surrounding 4-Nitro-2-(trifluoromethoxy)phenol includes several patents describing its use in various synthetic processes and as an intermediate for valuable end products. A 2023 patent search revealed new applications in catalysis systems and as a ligand in transition metal complexes, expanding the compound's utility beyond traditional uses.

Analytical method development for 4-Nitro-2-(trifluoromethoxy)phenol has benefited from advances in chromatography and spectroscopy. Modern HPLC methods can reliably separate and quantify this compound even in complex mixtures, while advanced mass spectrometry techniques enable precise structural characterization. These analytical tools support quality control in both research and potential commercial applications.

As the chemical industry continues to evolve, compounds like 4-Nitro-2-(trifluoromethoxy)phenol (CAS 1261753-93-8) demonstrate how strategic functional group combinations can create valuable tools for scientific advancement. Its dual functionality as both an electron-withdrawing nitro compound and a fluorinated aromatic ensures its ongoing relevance in multiple fields of chemical research and development.

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