Cas no 122455-84-9 (4-Fluoro-2-methyl-5-nitrophenol)

4-Fluoro-2-methyl-5-nitrophenol is a fluorinated nitrophenol derivative characterized by its distinct molecular structure, incorporating a fluorine atom and a nitro group on a phenolic ring. This compound is primarily utilized in organic synthesis and pharmaceutical research, where its electron-withdrawing substituents enhance reactivity in substitution and coupling reactions. The presence of both fluoro and nitro groups contributes to its utility as an intermediate in the development of agrochemicals, dyes, and specialty chemicals. Its crystalline solid form and moderate solubility in organic solvents facilitate handling in laboratory settings. The compound’s stability under controlled conditions makes it a reliable reagent for targeted synthetic applications.
4-Fluoro-2-methyl-5-nitrophenol structure
122455-84-9 structure
Product Name:4-Fluoro-2-methyl-5-nitrophenol
CAS No:122455-84-9
MF:C7H6FNO3
MW:171.125845432281
MDL:MFCD07779286
CID:104501
PubChem ID:10821059
Update Time:2025-10-05

4-Fluoro-2-methyl-5-nitrophenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-fluoro-2-methyl-5-nitro-
    • 4-FLUORO-2-METHYL-5-NITROPHENOL
    • 4-FLUORO-6-METHYL-3-NITROPHENOL
    • 2-methyl-4-fluoro-5-nitrophenol
    • 4-fluoro-2-methyl-5-nitro-phenol
    • Phenol,4-fluoro-2-methyl-5-nitro
    • 5-Fluoro-2-hydroxy-4-nitrotoluene, 4-Fluoro-5-nitro-o-cresol
    • SY036015
    • CS-0117812
    • AKOS006285660
    • RSHVJZUBABFJRL-UHFFFAOYSA-N
    • PS-10573
    • SCHEMBL56647
    • FT-0763199
    • DTXSID90445305
    • 122455-84-9
    • A921930
    • MFCD07779286
    • Phenol, 4-fluoro-2-methyl-5-nitro-
    • AC3261
    • 4fluoro-2-methyl-5-nitrophenol
    • 2-fluoro-5-hydroxy-4-methylnitrobenzene
    • 4-Fluoro-5-nitro-o-cresol (OH=1)
    • DA-39404
    • 4-Fluoro-2-methyl-5-nitrophenol
    • MDL: MFCD07779286
    • Inchi: 1S/C7H6FNO3/c1-4-2-5(8)6(9(11)12)3-7(4)10/h2-3,10H,1H3
    • InChI Key: RSHVJZUBABFJRL-UHFFFAOYSA-N
    • SMILES: FC1=CC(C)=C(C=C1[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 171.03300
  • Monoisotopic Mass: 171.03317122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 182
  • 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: 1.9
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 66.05000
  • LogP: 2.27110

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Additional information on 4-Fluoro-2-methyl-5-nitrophenol

Recent Advances in the Study of 4-Fluoro-2-methyl-5-nitrophenol (CAS: 122455-84-9)

4-Fluoro-2-methyl-5-nitrophenol (CAS: 122455-84-9) is a fluorinated nitrophenol derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential applications. Recent studies have explored its role as an intermediate in the synthesis of bioactive compounds, its antimicrobial properties, and its potential as a building block for more complex molecules. This research brief aims to summarize the latest findings related to this compound, providing insights into its chemical behavior, biological activity, and industrial relevance.

One of the key areas of investigation has been the compound's utility in the synthesis of pharmaceuticals. A 2023 study published in the Journal of Medicinal Chemistry highlighted its use as a precursor in the development of novel antibacterial agents. The study demonstrated that derivatives of 4-Fluoro-2-methyl-5-nitrophenol exhibited potent activity against multidrug-resistant bacterial strains, suggesting its potential in addressing the global antibiotic resistance crisis. The researchers employed a combination of computational modeling and in vitro assays to optimize the compound's structure for enhanced efficacy and reduced toxicity.

In addition to its pharmaceutical applications, recent research has also focused on the environmental impact and degradation pathways of 4-Fluoro-2-methyl-5-nitrophenol. A 2024 study in Environmental Science & Technology investigated its biodegradation by microbial communities in soil and water systems. The findings revealed that certain bacterial strains, such as Pseudomonas putida, can metabolize the compound, breaking it down into less harmful byproducts. This discovery has important implications for the development of bioremediation strategies for fluorinated pollutants.

Another notable advancement is the exploration of 4-Fluoro-2-methyl-5-nitrophenol in material science. Researchers have utilized its nitro and fluoro functional groups to design advanced polymers with unique electronic properties. A 2023 paper in Advanced Materials reported the synthesis of a conductive polymer incorporating this compound, which exhibited exceptional thermal stability and conductivity. Such materials hold promise for applications in flexible electronics and energy storage devices.

Despite these promising developments, challenges remain in the large-scale production and application of 4-Fluoro-2-methyl-5-nitrophenol. Issues such as cost-effective synthesis, purification, and scalability need to be addressed to fully realize its potential. Future research directions may include the development of greener synthetic routes, further exploration of its biological activities, and the design of novel derivatives with improved properties. Overall, the ongoing studies underscore the versatility and significance of this compound in advancing both scientific knowledge and practical applications in the chemical and pharmaceutical industries.

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