Cas no 312-95-8 (Benzene,1-(difluoromethyl)-2-(trifluoromethyl)-)

Benzene,1-(difluoromethyl)-2-(trifluoromethyl)- is a fluorinated aromatic compound characterized by the presence of both difluoromethyl and trifluoromethyl substituents on the benzene ring. This structure imparts unique electronic and steric properties, making it valuable in synthetic chemistry and material science applications. The electron-withdrawing nature of the fluorine substituents enhances its reactivity in electrophilic substitution and cross-coupling reactions. Additionally, the compound's stability and lipophilicity render it suitable for use in agrochemical and pharmaceutical intermediates. Its well-defined molecular architecture also allows for precise modifications in advanced organic synthesis. The compound is typically handled under controlled conditions due to its potential reactivity.
Benzene,1-(difluoromethyl)-2-(trifluoromethyl)- structure
312-95-8 structure
Product Name:Benzene,1-(difluoromethyl)-2-(trifluoromethyl)-
CAS No:312-95-8
MF:C8H5F5
MW:196.117319822311
MDL:MFCD11042223
CID:307698
PubChem ID:67562
Update Time:2025-05-20

Benzene,1-(difluoromethyl)-2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(difluoromethyl)-2-(trifluoromethyl)-
    • 1-(DIFLUOROMETHY)-4-TRIFLUOROMETHYLBENZENE
    • 1-(difluoromethyl)-2-(trifluoromethyl)benzene
    • 1-(difluoromethyl)-4-(trifluoromethyl)benzene
    • alpha,alpha,alpha,alpha',alpha'-Pentafluoro-o-xylene
    • SCHEMBL10546400
    • CS-0450877
    • 1-(Difluoromethyl)-2-(trifluoromethyl)benzene stabilized over potassium carbonate
    • MFCD11042223
    • LYADDKODNUCIMF-UHFFFAOYSA-N
    • AKOS006306299
    • DTXSID70185131
    • NS00041826
    • 312-95-8
    • EINECS 206-234-1
    • SY265703
    • MDL: MFCD11042223
    • Inchi: 1S/C8H5F5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
    • InChI Key: LYADDKODNUCIMF-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(F)F)(F)F

Computed Properties

  • Exact Mass: 196.03115
  • Monoisotopic Mass: 196.031141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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: 0
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.299
  • Boiling Point: 142.4°Cat760mmHg
  • Flash Point: 42.6°C
  • Refractive Index: 1.398
  • PSA: 0

Benzene,1-(difluoromethyl)-2-(trifluoromethyl)- Pricemore >>

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Additional information on Benzene,1-(difluoromethyl)-2-(trifluoromethyl)-

Chemical Profile of Benzene,1-(difluoromethyl)-2-(trifluoromethyl)

Benzene,1-(difluoromethyl)-2-(trifluoromethyl), also known by its CAS number 312-95-8, is a highly fluorinated aromatic compound with significant applications in various fields. This compound is characterized by its unique structure, which includes a benzene ring substituted with a difluoromethyl group at position 1 and a trifluoromethyl group at position 2. The presence of these fluorinated substituents imparts distinctive chemical and physical properties to the molecule, making it a subject of interest in both academic and industrial research.

The synthesis of Benzene,1-(difluoromethyl)-2-(trifluoromethyl) involves advanced organic chemistry techniques. Recent studies have focused on optimizing the synthesis pathways to enhance yield and reduce environmental impact. For instance, researchers have explored the use of transition metal catalysts to facilitate the coupling reactions required for constructing the difluoromethyl and trifluoromethyl groups on the benzene ring. These advancements not only improve the efficiency of production but also align with the growing demand for sustainable chemical manufacturing practices.

The physical properties of this compound are heavily influenced by its fluorinated substituents. The trifluoromethyl group, in particular, contributes significantly to the molecule's stability and reactivity. Recent experimental data indicate that Benzene,1-(difluoromethyl)-2-(trifluoromethyl) exhibits high thermal stability, making it suitable for applications in high-temperature environments. Additionally, its solubility characteristics have been extensively studied, revealing its ability to dissolve in a variety of organic solvents while remaining relatively insoluble in water.

In terms of chemical reactivity, Benzene,1-(difluoromethyl)-2-(trifluoromethyl) has shown promising results in various catalytic reactions. For example, it has been used as a precursor in the synthesis of advanced materials such as fluoropolymers and specialty chemicals. Recent research has also highlighted its potential as a building block for drug development, particularly in the design of bioactive molecules with enhanced pharmacokinetic properties.

The environmental impact of Benzene,1-(difluoromethyl)-2-(trifluoromethyl) has been a topic of interest due to its fluorinated nature. Studies have shown that this compound undergoes slow biodegradation under aerobic conditions, raising concerns about its persistence in the environment. However, ongoing research is focused on developing efficient methods for its safe disposal and minimizing its ecological footprint.

From an industrial perspective, the demand for Benzene,1-(difluoromethyl)-2-(trifluoromethyl) continues to grow due to its versatility across multiple sectors. Its applications range from agrochemicals to electronic materials, with recent advancements highlighting its role in next-generation semiconductors. The compound's ability to act as an effective electron-withdrawing group makes it invaluable in designing materials with tailored electronic properties.

In conclusion, Benzene,1-(diffluromethy)-2-(triflourmethy) is a multifaceted compound with significant potential across various industries. Its unique chemical structure and properties continue to drive innovative research and development efforts. As scientific understanding of this compound deepens, it is expected to play an even more critical role in advancing modern chemistry and materials science.

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