Cas no 1095-77-8 (2,2-Bis(4-methylphenyl)hexafluoropropane)

2,2-Bis(4-methylphenyl)hexafluoropropane is a fluorinated aromatic compound characterized by its hexafluoropropane core flanked by two 4-methylphenyl groups. This structure imparts high thermal stability, chemical resistance, and low surface energy, making it suitable for applications requiring inert materials under harsh conditions. Its fluorine-rich composition contributes to excellent hydrophobicity and dielectric properties, which are advantageous in coatings, electronic materials, and high-performance polymers. The presence of methyl groups enhances solubility in organic solvents, facilitating processing. This compound is particularly valued in industries where thermal degradation resistance and environmental stability are critical, such as aerospace, electronics, and specialty chemical manufacturing.
2,2-Bis(4-methylphenyl)hexafluoropropane structure
1095-77-8 structure
Product Name:2,2-Bis(4-methylphenyl)hexafluoropropane
CAS No:1095-77-8
MF:C17H14F6
MW:332.283485889435
MDL:MFCD00042597
CID:40719
PubChem ID:87564337
Update Time:2025-05-19

2,2-Bis(4-methylphenyl)hexafluoropropane Chemical and Physical Properties

Names and Identifiers

    • 4,4'-(Perfluoropropane-2,2-diyl)bis(methylbenzene)
    • 2,2-Bis(4-methylphenyl)hexafluoropropane
    • 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
    • 4,4'-(Hexafluoroisopropylidene)ditoluene
    • Propane,1,1,1,3,3,3-hexafluoro-2,2-di-p-tolyl- (7CI)
    • Propane, hexafluoro-2,2-di-p-tolyl-(8CI)
    • 2,2-Bis(p-tolyl)hexafluoropropane
    • 6FDT
    • BIS-T-AF
    • 4,4-(HEXAFLUOROISOPROPYLIDENE)DITOLUENE
    • 4,4'-Bis(trifluoromethyl)methylenebistoluene
    • 4,4'-[Bis(trifluoromethyl)methylene]bistoluene
    • 2,2-Bis(4-methylphenyl)hexafluoropropane98%
    • 2,2-Bis(4-methylphenyl)hexafluoropropane 98%
    • 4,4'-(Hexafluoroisopropylidene)ditoluene,98%
    • OWEIAGSMFHSSES-UHFFFAOYSA-N
    • hexafluoro-2,2 -di-p-tolylpropane
    • C17H14F6
    • PC1230
    • 1872AA
    • LS
    • LS41245
    • 2,2-Bis(4-methylphenyl)hexafluoropropan
    • 2,2-bis-(4-methyl
    • A802054
    • 1-Methyl-4-[2,2,2-trifluoro-1-(4-methylphenyl)-1-(trifluoromethyl)ethyl]benzene #
    • D88805
    • 1,1'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)bis(4-methylbenzene)
    • FT-0609180
    • 1095-77-8
    • AKOS015842414
    • 1-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-methylphenyl)propan-2-yl]-4-methyl-benzene
    • DTXSID60347468
    • 2,2-bis-(4-methylphenyl)hexafluoropropane
    • AMY6884
    • CS-0153075
    • SCHEMBL275315
    • SY050435
    • MFCD00042597
    • AS-64378
    • B1417
    • Benzene, 1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-methyl-?
    • 4,4 inverted exclamation mark -(Perfluoropropane-2,2-diyl)bis(methylbenzene)
    • DB-019602
    • MDL: MFCD00042597
    • Inchi: 1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3
    • InChI Key: OWEIAGSMFHSSES-UHFFFAOYSA-N
    • SMILES: FC(C(C(F)(F)F)(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1)(F)F

Computed Properties

  • Exact Mass: 332.10000
  • Monoisotopic Mass: 332.09996942g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 343
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.6
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.1865 (rough estimate)
  • Melting Point: 82.0 to 85.0 deg-C
  • Boiling Point: 112°C/1.7mmHg(lit.)
  • Refractive Index: 1.4250 (estimate)
  • PSA: 0.00000
  • LogP: 5.71410
  • Solubility: Not determined

2,2-Bis(4-methylphenyl)hexafluoropropane Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2,2-Bis(4-methylphenyl)hexafluoropropane Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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2,2-Bis(4-methylphenyl)hexafluoropropane Related Literature

Additional information on 2,2-Bis(4-methylphenyl)hexafluoropropane

Professional Introduction to Compound with CAS No. 1095-77-8 and Product Name: 2,2-Bis(4-methylphenyl)hexafluoropropane

Compound with the CAS number 1095-77-8, identified as 2,2-Bis(4-methylphenyl)hexafluoropropane, is a significant chemical entity that has garnered attention in various scientific and industrial applications. This compound, characterized by its unique molecular structure, exhibits a range of properties that make it valuable in multiple domains, including pharmaceuticals, materials science, and specialty chemicals. The molecular formula of this compound is C??H??F?, reflecting its composition of carbon, hydrogen, and fluorine atoms arranged in a specific geometric configuration. The presence of fluorine atoms contributes to its distinctive chemical behavior, enhancing its stability and reactivity under certain conditions.

The synthesis of 2,2-Bis(4-methylphenyl)hexafluoropropane involves a series of well-defined chemical reactions that require precise control over reaction conditions and reagent selection. The process typically begins with the preparation of the hexafluoropropane precursor, followed by the introduction of the 4-methylphenyl groups to form the bis-substituted product. Advanced synthetic techniques, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, are often employed to achieve high yields and purity levels. These methods ensure that the final product meets the stringent requirements for use in sensitive applications.

In recent years, 2,2-Bis(4-methylphenyl)hexafluoropropane has been explored for its potential applications in pharmaceutical research. Its molecular structure suggests that it may serve as a versatile intermediate in the synthesis of more complex drug molecules. Researchers have been particularly interested in its ability to act as a building block for ligands that interact with biological targets. For instance, studies have indicated that derivatives of this compound may exhibit inhibitory effects on certain enzymes and receptors, making them promising candidates for therapeutic development.

One of the most compelling aspects of 2,2-Bis(4-methylphenyl)hexafluoropropane is its thermal stability and resistance to degradation under harsh conditions. These properties make it an attractive choice for high-performance materials used in industries such as aerospace and electronics. In these applications, the compound's ability to maintain structural integrity at elevated temperatures and in corrosive environments is crucial. Additionally, its low toxicity profile further enhances its suitability for use in products that come into contact with humans or the environment.

The role of fluorine in the chemical behavior of 2,2-Bis(4-methylphenyl)hexafluoropropane cannot be overstated. Fluorine atoms introduce electron-withdrawing effects that can significantly influence the reactivity and electronic properties of the molecule. This has led to investigations into its potential use as a fluorinated building block in organic electronics and photovoltaic materials. Recent studies have demonstrated that compounds derived from this molecule can improve the efficiency of organic light-emitting diodes (OLEDs) by enhancing charge transport properties.

From an industrial perspective, the production and application of 2,2-Bis(4-methylphenyl)hexafluoropropane highlight the importance of sustainable chemistry practices. Efforts are underway to optimize synthetic routes to minimize waste and energy consumption without compromising yield or quality. These initiatives align with global trends toward greener manufacturing processes and reduced environmental impact. By leveraging advanced catalytic systems and solvent-free reaction conditions, manufacturers can produce this compound more efficiently while adhering to environmental regulations.

The versatility of 2,2-Bis(4-methylphenyl)hexafluoropropane extends beyond its primary applications in pharmaceuticals and materials science. It has also been explored as a component in specialty coatings and adhesives where its thermal stability and chemical resistance are highly beneficial. These coatings are used in protective layers for industrial equipment, automotive parts, and electronic components exposed to extreme conditions. The ability of this compound to form robust chemical bonds with various substrates enhances the durability and performance of these products.

As research continues to uncover new applications for 2,2-Bis(4-methylphenyl)hexafluoropropane, collaboration between academic institutions and industry partners will be essential to drive innovation forward. The integration of computational chemistry techniques into synthetic planning allows researchers to predict molecular behavior with greater accuracy, leading to faster development cycles and more efficient use of resources. Such interdisciplinary approaches are critical for advancing our understanding of this compound's potential across multiple scientific domains.

In conclusion,2,2-Bis(4-methylphenyl)hexafluoropropane represents a fascinating chemical entity with broad utility in pharmaceuticals、materials science、and industrial applications。 Its unique molecular structure,enhanced by the presence of fluorine atoms,provides a foundation for diverse applications ranging from drug development to high-performance materials。As research progresses,the full potential of this compound will continue to be realized through innovative synthetic methodologies,collaborative efforts,and sustainable manufacturing practices。

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