Cas no 393-76-0 (Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)-)

Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- is a fluorinated aromatic compound characterized by its electron-withdrawing nitro and trifluoromethyl substituents. This structure imparts high reactivity, making it a valuable intermediate in organic synthesis, particularly for electrophilic substitution reactions. The presence of fluorine enhances thermal and chemical stability while influencing the compound's electronic properties, which is beneficial in agrochemical and pharmaceutical applications. Its dinitro groups contribute to its utility in energetic materials research. The trifluoromethyl group further improves lipophilicity, aiding in the development of specialty chemicals. This compound is typically handled under controlled conditions due to its potential sensitivity.
Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- structure
393-76-0 structure
Product Name:Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)-
CAS No:393-76-0
MF:C7H2F4N2O4
MW:254.095395565033
MDL:MFCD00153131
CID:294313
PubChem ID:2737127
Update Time:2025-05-19

Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)-
    • 3,5-Dinitro-4-fluorobenzotrifluoride
    • 2-Fluoro-1,3-dinitro-5-(trifluoromethyl)benzene
    • DTXSID50371858
    • CS-0365099
    • 3,5-dinitro-4-fluorobenzotrifluoride, AldrichCPR
    • AG-205/04676013
    • MFCD00153131
    • 4-fluoro-3,5-dinitrobenzotrifluoride
    • 393-76-0
    • FS-5388
    • AKOS025295990
    • SCHEMBL6203515
    • MDL: MFCD00153131
    • Inchi: 1S/C7H2F4N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
    • InChI Key: NVHWZCIXUHFQGS-UHFFFAOYSA-N
    • SMILES: FC1=C(C=C(C(F)(F)F)C=C1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 253.99506
  • Monoisotopic Mass: 253.995
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 299
  • 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
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • Density: 1.684
  • Boiling Point: 262.7°C at 760 mmHg
  • Flash Point: 112.7°C
  • Refractive Index: 1.499
  • PSA: 86.28

Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- Security Information

Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- Pricemore >>

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Additional information on Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)-

Comprehensive Guide to Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- (CAS No. 393-76-0): Properties, Applications, and Market Insights

Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- (CAS No. 393-76-0) is a specialized aromatic compound that has garnered significant attention in both academic and industrial research. This fluorinated nitrobenzene derivative is characterized by its unique molecular structure, which combines fluorine, nitro, and trifluoromethyl groups on a benzene ring. The presence of these functional groups imparts distinct chemical and physical properties, making it a valuable intermediate in various high-performance applications.

The compound's systematic name, 2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene, highlights its structural features. Chemists and material scientists often refer to it by its shorthand notation or CAS number (393-76-0) for precise identification. Its molecular formula is C7H2F4N2O4, with a molecular weight of 254.10 g/mol. The strategic placement of electron-withdrawing groups (fluorine and nitro) creates an electron-deficient aromatic system, which is crucial for its reactivity in various chemical transformations.

One of the most searched questions about Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- relates to its synthetic applications. Researchers frequently explore its use as a building block for advanced materials, particularly in the development of high-performance polymers and electronic materials. The compound's ability to undergo nucleophilic aromatic substitution reactions makes it particularly valuable for creating complex molecular architectures with precise functionality.

In the field of agrochemical research, derivatives of 2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene have shown promise as intermediates for novel crop protection agents. The trifluoromethyl group, in particular, is known to enhance the biological activity and environmental stability of many agricultural chemicals. This aligns with current industry trends toward developing more efficient and sustainable agrochemicals.

The physical properties of Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- contribute significantly to its handling and application. It typically appears as a crystalline solid at room temperature, with solubility characteristics that vary depending on the solvent system. These properties are frequently investigated by researchers looking to optimize reaction conditions or formulation processes.

Recent advancements in fluorinated compound synthesis have brought renewed attention to CAS 393-76-0. The growing demand for fluorinated pharmaceuticals and specialty chemicals has created opportunities for innovative applications of this compound. Its structural features make it particularly interesting for medicinal chemistry applications, where fluorinated aromatic compounds often exhibit enhanced metabolic stability and bioavailability.

From a market perspective, the global demand for 2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene has shown steady growth, particularly in regions with strong pharmaceutical and specialty chemical industries. Manufacturers and suppliers are increasingly focusing on developing efficient synthetic routes to meet the growing demand while maintaining high purity standards.

Environmental and handling considerations for Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- are another area of frequent inquiry. While not classified as hazardous under standard regulations, proper laboratory practices should always be followed when working with this compound. Researchers often search for information about its stability, storage conditions, and compatibility with other chemicals.

The compound's spectroscopic characteristics, including its distinctive NMR and mass spectra patterns, make it easily identifiable in analytical chemistry applications. These properties are particularly valuable for quality control in manufacturing processes and for verification in research applications.

Looking toward future applications, Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- shows potential in emerging fields such as organic electronics and advanced material science. Its electron-deficient aromatic system and the presence of multiple functional groups make it an interesting candidate for developing novel conductive materials or molecular components in electronic devices.

For researchers working with CAS 393-76-0, understanding its reactivity patterns is crucial. The compound's behavior in various chemical reactions, including its selectivity in substitution reactions and stability under different conditions, are common topics of investigation in synthetic chemistry laboratories worldwide.

In conclusion, Benzene,2-fluoro-1,3-dinitro-5-(trifluoromethyl)- represents an important class of fluorinated aromatic compounds with diverse applications across multiple industries. Its unique combination of functional groups and resulting chemical properties continue to make it a valuable tool for researchers and manufacturers alike. As innovation in fluorinated compounds progresses, the potential applications for this specialized chemical are likely to expand further.

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