Cas no 394-60-5 (4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE)

4-Nitrophenyl trifluoromethyl sulphoxide is a specialized organosulfur compound featuring a nitro-substituted phenyl group and a trifluoromethyl sulphoxide moiety. Its key advantages include high reactivity as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The electron-withdrawing nitro and trifluoromethyl groups enhance its utility in nucleophilic substitution and oxidation reactions. The compound’s stability under various conditions makes it suitable for use in controlled synthetic processes. Additionally, its distinct structural properties facilitate applications in catalysis and material science, where precise functional group manipulation is required. This compound is valued for its versatility in constructing complex molecular frameworks.
4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE structure
394-60-5 structure
Product Name:4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE
CAS No:394-60-5
MF:C7H4F3NO3S
MW:239.1717710495
MDL:MFCD00656389
CID:304979
PubChem ID:2777822
Update Time:2025-10-30

4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-nitro-4-[(trifluoromethyl)sulfinyl]-
    • 4-(Trifluoromethylsulphinyl)nitrobenzene
    • 4-Nitrophenyl trifluoromethyl sulphoxide
    • 4-nitrophenyltrifluoromethyl sulfoxide
    • p-nitrophenyl trifluoromethyl sulfoxide
    • 1-nitro-4-(trifluoromethylsulfinyl)benzene
    • 1-Nitro-4-(trifluoromethylsulphinyl)benzene
    • MFCD00656389
    • 1-nitro-4-trifluoromethanesulfinylbenzene
    • 1-nitro-4-((trifluoromethyl)sulfinyl)benzene
    • CS-0242320
    • AKOS002306091
    • 4-(Trifluoromethylsulfinyl)nitrobenzene
    • FEEZTKJJCSPLDF-UHFFFAOYSA-N
    • 394-60-5
    • FT-0632081
    • Z56871894
    • 4-nitrophenyltrifluoromethyl sulphoxide
    • Benzene, 1-nitro-4-[(trifluoromethyl)sulfinyl]-
    • EN300-247329
    • 4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE
    • MDL: MFCD00656389
    • Inchi: 1S/C7H4F3NO3S/c8-7(9,10)15(14)6-3-1-5(2-4-6)11(12)13/h1-4H
    • InChI Key: FEEZTKJJCSPLDF-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 238.98600
  • Monoisotopic Mass: 238.986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 82.1A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.061
  • Melting Point: 59-60°C
  • Boiling Point: 208.7°Cat760mmHg
  • Flash Point: 80°C
  • Refractive Index: 1.528
  • PSA: 82.10000
  • LogP: 3.61110

4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE Security Information

4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE Pricemore >>

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abcr
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Additional information on 4-NITROPHENYL TRIFLUOROMETHYL SULPHOXIDE

Recent Advances in the Study of 4-Nitrophenyl Trifluoromethyl Sulphoxide (CAS: 394-60-5) in Chemical Biology and Pharmaceutical Research

4-Nitrophenyl trifluoromethyl sulphoxide (CAS: 394-60-5) is a specialized chemical compound that has garnered significant attention in recent years due to its unique structural and functional properties. This compound, characterized by the presence of a trifluoromethyl sulphoxide group and a nitro-substituted phenyl ring, has been explored for its potential applications in medicinal chemistry, drug discovery, and chemical biology. Recent studies have highlighted its role as a versatile intermediate in organic synthesis and as a potential pharmacophore in the development of novel therapeutic agents.

One of the key areas of research involving 4-nitrophenyl trifluoromethyl sulphoxide is its utility in the synthesis of bioactive molecules. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its efficacy as a building block for the development of sulfoxide-containing inhibitors targeting specific enzymes involved in inflammatory pathways. The trifluoromethyl group, in particular, has been shown to enhance the metabolic stability and binding affinity of these inhibitors, making them promising candidates for further preclinical evaluation.

In addition to its synthetic applications, 4-nitrophenyl trifluoromethyl sulphoxide has also been investigated for its biochemical properties. Research conducted by a team at the University of Cambridge (2024) revealed that this compound exhibits unique reactivity in the presence of biological thiols, suggesting potential applications in redox biology and the design of thiol-reactive probes. These findings open new avenues for the use of this compound in studying cellular redox homeostasis and oxidative stress-related diseases.

Another notable advancement is the exploration of 4-nitrophenyl trifluoromethyl sulphoxide in the context of drug delivery systems. A recent study in Advanced Drug Delivery Reviews (2024) highlighted its potential as a prodrug moiety, leveraging the nitro group for targeted release under hypoxic conditions commonly found in tumor microenvironments. This approach could improve the specificity and efficacy of chemotherapeutic agents, reducing off-target effects and systemic toxicity.

Despite these promising developments, challenges remain in the widespread adoption of 4-nitrophenyl trifluoromethyl sulphoxide in pharmaceutical applications. Issues such as scalability of synthesis, stability under physiological conditions, and potential off-target interactions need to be addressed through further research. Collaborative efforts between academic institutions and pharmaceutical companies are essential to overcome these hurdles and fully realize the therapeutic potential of this compound.

In conclusion, 4-nitrophenyl trifluoromethyl sulphoxide (CAS: 394-60-5) represents a valuable tool in chemical biology and pharmaceutical research. Its unique structural features and diverse reactivity profile make it a promising candidate for the development of novel therapeutics and biochemical probes. Continued research into its mechanisms of action and optimization of its physicochemical properties will be critical for its successful translation into clinical applications.

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