Cas no 120103-18-6 (2,5-Difluoro-4-nitrophenol)

2,5-Difluoro-4-nitrophenol is a fluorinated nitrophenol derivative with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include two fluorine substituents and a nitro group on the aromatic ring, enhancing its reactivity in electrophilic and nucleophilic substitution reactions. The electron-withdrawing properties of the fluorine and nitro groups make it a valuable precursor for constructing complex fluorinated compounds. This compound exhibits moderate solubility in polar organic solvents, facilitating its use in cross-coupling and functionalization reactions. Its stability under standard conditions and well-defined reactivity profile make it a practical choice for researchers in medicinal chemistry and material science.
2,5-Difluoro-4-nitrophenol structure
2,5-Difluoro-4-nitrophenol structure
Product Name:2,5-Difluoro-4-nitrophenol
CAS No:120103-18-6
MF:C6H3F2NO3
MW:175.089728593826
MDL:MFCD04039297
CID:133165
PubChem ID:2782490
Update Time:2025-05-26

2,5-Difluoro-4-nitrophenol Chemical and Physical Properties

Names and Identifiers

    • 2,5-Difluoro-4-nitrophenol
    • Phenol,2,5-difluoro-4-nitro-
    • 2,4-DIFLUORO-H-1,2,4-TRIAZOLE ACETOPHENONE
    • 2,5-difluoro-4-nitro-phenol
    • Phenol,2,5-difluoro-4-nitro
    • AKOS006230028
    • FT-0642931
    • 2.5-difluoro-4-nitro-phenol
    • WOQWWNJQZLYLMC-UHFFFAOYSA-N
    • SY036387
    • A804432
    • Phenol, 2,5-difluoro-4-nitro-
    • SCHEMBL2413345
    • CL9077
    • J-004258
    • AM83050
    • AS-46201
    • DTXSID40382110
    • 2.5-difluoro-4-nitrophenol
    • 120103-18-6
    • MFCD04039297
    • 2,5-bis(fluoranyl)-4-nitro-phenol
    • 2,5-Difluoro-4-nitrophenol, AldrichCPR
    • DB-027032
    • MDL: MFCD04039297
    • Inchi: 1S/C6H3F2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
    • InChI Key: WOQWWNJQZLYLMC-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=CC=1[N+](=O)[O-])F)O

Computed Properties

  • Exact Mass: 175.00800
  • Monoisotopic Mass: 175.008
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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
  • Topological Polar Surface Area: 66A^2
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.619
  • Boiling Point: 303.6℃ at 760 mmHg
  • Flash Point: 137.4°C
  • Refractive Index: 1.554
  • PSA: 66.05000
  • LogP: 2.10180

2,5-Difluoro-4-nitrophenol Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi

2,5-Difluoro-4-nitrophenol Customs Data

  • HS CODE:2908999090
  • Customs Data:

    China Customs Code:

    2908999090

    Overview:

    2908999090 Halogenated derivatives of other phenols and phenolic alcohols(Including its sulfonation\Nitrosative or nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

2,5-Difluoro-4-nitrophenol Pricemore >>

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Additional information on 2,5-Difluoro-4-nitrophenol

Professional Introduction to 2,5-Difluoro-4-nitrophenol (CAS No 120103-18-6)

2,5-Difluoro-4-nitrophenol is a fluorinated nitroaromatic compound that has garnered significant attention in the field of chemical and pharmaceutical research due to its unique structural and functional properties. This compound, identified by the Chemical Abstracts Service Number (CAS No) 120103-18-6, represents a critical intermediate in the synthesis of various pharmacologically active molecules. Its molecular structure, characterized by the presence of both fluorine and nitro substituents on a phenolic ring, imparts distinct reactivity and potential applications in medicinal chemistry.

The significance of 2,5-Difluoro-4-nitrophenol lies in its versatility as a building block for more complex chemical entities. The fluorine atoms at the 2- and 5-positions enhance the compound's lipophilicity and metabolic stability, making it an attractive candidate for drug development. In contrast, the nitro group at the 4-position introduces electrophilic reactivity, facilitating further functionalization through reduction or nucleophilic substitution reactions. These features have made this compound a focal point in the design of novel therapeutic agents targeting various biological pathways.

Recent advancements in synthetic methodologies have further highlighted the utility of 2,5-Difluoro-4-nitrophenol. Researchers have demonstrated efficient synthetic routes to this compound, leveraging modern techniques such as transition-metal-catalyzed cross-coupling reactions and palladium-mediated transformations. These methods not only improve yield but also enhance scalability, making 2,5-Difluoro-4-nitrophenol more accessible for industrial applications. The ability to produce this intermediate in high purity and quantity underscores its importance in pharmaceutical manufacturing processes.

In the realm of medicinal chemistry, 2,5-Difluoro-4-nitrophenol has been explored as a precursor for a wide range of bioactive molecules. Its structural framework is well-suited for modulating enzyme activity and interacting with biological targets. For instance, derivatives of this compound have shown promise in inhibiting enzymes involved in inflammatory responses and cancer progression. The fluorine substituents play a crucial role in enhancing binding affinity by improving hydrophobic interactions with protein targets, while the nitro group can be further functionalized to introduce additional pharmacological properties.

The incorporation of fluorine into pharmaceuticals is a well-documented strategy to improve drug efficacy and pharmacokinetic profiles. Fluorinated aromatic compounds often exhibit increased metabolic stability, reduced susceptibility to degradation by enzymes, and enhanced cell membrane permeability. These attributes are particularly valuable in the development of small-molecule drugs that require prolonged circulation times or targeted delivery to specific tissues. The presence of both fluorine and nitro groups in 2,5-Difluoro-4-nitrophenol thus positions it as a versatile scaffold for designing next-generation therapeutics.

Current research endeavors are focused on expanding the chemical space accessible through derivatives of 2,5-Difluoro-4-nitrophenol. By employing structure-activity relationship (SAR) studies, scientists aim to optimize the pharmacological properties of these derivatives. Techniques such as high-throughput screening and computational modeling are being utilized to identify lead compounds with enhanced potency and selectivity. The goal is to develop novel treatments that address unmet medical needs while minimizing side effects.

The environmental impact of fluorinated compounds is also a consideration in their development and application. While fluorine offers numerous benefits in drug design, its persistence in the environment raises concerns about long-term ecological effects. Efforts are underway to balance pharmacological advantages with environmental responsibility by designing compounds that are both effective and biodegradable. This includes exploring alternative synthetic routes that reduce waste and minimize the use of hazardous reagents.

The role of computational chemistry in understanding the behavior of 2,5-Difluoro-4-nitrophenol cannot be overstated. Advanced computational methods allow researchers to predict molecular interactions, optimize synthetic pathways, and assess potential toxicity profiles before experimental validation. These tools are particularly valuable in drug discovery pipelines where rapid screening of large libraries of compounds is essential. By integrating computational predictions with experimental data, scientists can accelerate the development process while ensuring safety and efficacy.

In conclusion, 2,5-Difluoro-4-nitrophenol, identified by CAS No 120103-18-6, represents a significant compound in modern chemical research with applications spanning synthetic chemistry and pharmaceutical development. Its unique structural features make it an invaluable intermediate for creating novel bioactive molecules with potential therapeutic benefits. As research continues to uncover new applications for this compound, its importance in advancing medicinal chemistry is likely to grow further.

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