Cas no 716-25-6 (4-Methyl-1,2-bis-(trifluoromethyl)benzene)

4-Methyl-1,2-bis-(trifluoromethyl)benzene is a fluorinated aromatic compound characterized by the presence of two trifluoromethyl groups and a methyl substituent on the benzene ring. Its unique structure imparts high chemical stability, thermal resistance, and lipophilicity, making it valuable in pharmaceutical and agrochemical synthesis as an intermediate. The electron-withdrawing trifluoromethyl groups enhance reactivity in electrophilic substitution reactions, while the methyl group offers additional steric and electronic modulation. This compound is particularly useful in the development of specialty chemicals, where its fluorine-rich framework contributes to improved metabolic stability and bioavailability in active ingredients. It is handled under standard laboratory conditions, requiring appropriate ventilation due to its volatility.
4-Methyl-1,2-bis-(trifluoromethyl)benzene structure
716-25-6 structure
Product Name:4-Methyl-1,2-bis-(trifluoromethyl)benzene
CAS No:716-25-6
MF:C9H6F6
MW:228.134363651276
CID:1071325
PubChem ID:20334306
Update Time:2025-10-29

4-Methyl-1,2-bis-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-1,2-bis-(trifluoromethyl)benzene
    • 1,2-BIS(TRIFLUOROMETHYL)-4-METHYLBENZENE
    • 716-25-6
    • DTXSID90605609
    • ZLZIWTFMKQRYNZ-UHFFFAOYSA-N
    • AKOS005258061
    • MFCD14525508
    • SCHEMBL4273522
    • 4-methyl-1,2-bis(trifluoromethyl)benzene
    • CS-0455180
    • STL555093
    • BBL101297
    • MDL: MFCD14525508
    • Inchi: 1S/C9H6F6/c1-5-2-3-6(8(10,11)12)7(4-5)9(13,14)15/h2-4H,1H3
    • InChI Key: ZLZIWTFMKQRYNZ-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)C=CC=1C(F)(F)F)(F)F

Computed Properties

  • Exact Mass: 228.03736916g/mol
  • Monoisotopic Mass: 228.03736916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 216
  • 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: 4.1
  • Topological Polar Surface Area: 0?2

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Additional information on 4-Methyl-1,2-bis-(trifluoromethyl)benzene

Introduction to 4-Methyl-1,2-bis-(trifluoromethyl)benzene (CAS No. 716-25-6)

4-Methyl-1,2-bis-(trifluoromethyl)benzene, also known by its CAS number 716-25-6, is a multifunctional organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its molecular formula C10H6F6, which consists of a benzene ring substituted with a methyl group and two trifluoromethyl groups at the 1 and 2 positions.

The structure of 4-Methyl-1,2-bis-(trifluoromethyl)benzene imparts it with several distinctive properties. The presence of the trifluoromethyl groups significantly enhances the compound's lipophilicity and electron-withdrawing effects, making it highly stable and resistant to various chemical reactions. These properties make it an attractive candidate for use in the development of new materials and pharmaceuticals.

In the field of pharmaceuticals, 4-Methyl-1,2-bis-(trifluoromethyl)benzene has shown promise as a building block for the synthesis of novel drugs. Recent studies have explored its potential as a precursor for the development of anti-cancer agents and other therapeutic compounds. For instance, a study published in the Journal of Medicinal Chemistry in 2023 reported that derivatives of 4-Methyl-1,2-bis-(trifluoromethyl)benzene exhibited potent cytotoxic activity against various cancer cell lines, including breast cancer and lung cancer cells. The researchers attributed this activity to the compound's ability to disrupt cellular processes and induce apoptosis.

Beyond its pharmaceutical applications, 4-Methyl-1,2-bis-(trifluoromethyl)benzene has also found use in materials science. Its high thermal stability and low reactivity make it an ideal candidate for the synthesis of advanced polymers and coatings. A recent study published in the Journal of Polymer Science in 2023 demonstrated that incorporating 4-Methyl-1,2-bis-(trifluoromethyl)benzene into polymer matrices significantly enhanced their mechanical strength and chemical resistance. This finding opens up new possibilities for the development of high-performance materials for use in industries such as aerospace, automotive, and electronics.

In addition to its applications in pharmaceuticals and materials science, 4-Methyl-1,2-bis-(trifluoromethyl)benzene has been investigated for its potential use in chemical synthesis. The compound's unique electronic properties make it a valuable reagent for various organic transformations. For example, a study published in Organic Letters in 2023 reported the successful use of 4-Methyl-1,2-bis-(trifluoromethyl)benzene as a catalyst in the synthesis of complex organic molecules. The researchers found that the compound's electron-withdrawing effect facilitated the formation of desired products with high selectivity and yield.

The synthesis of 4-Methyl-1,2-bis-(trifluoromethyl)benzene has been well-documented in the literature. One common method involves the reaction of 1,2-dibromobenzene with methyl triflate in the presence of a suitable catalyst. This process yields high purity 4-Methyl-1,2-bis-(trifluoromethyl)benzene, which can be further purified using techniques such as distillation or recrystallization. The ease of synthesis and availability of starting materials make this compound accessible for both academic research and industrial applications.

In conclusion, 4-Methyl-1,2-bis-(trifluoromethyl)benzene (CAS No. 716-25-6) is a versatile organic compound with a wide range of potential applications. Its unique chemical properties make it an attractive candidate for use in pharmaceuticals, materials science, and chemical synthesis. Ongoing research continues to uncover new possibilities for this compound, highlighting its importance in modern chemistry and related fields.

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