Cas no 243139-67-5 (4-Methyl-3,5-bis(trifluoromethyl)aniline)

4-Methyl-3,5-bis(trifluoromethyl)aniline is a fluorinated aromatic amine featuring two trifluoromethyl groups and a methyl substituent on the benzene ring. This compound is valued for its electron-withdrawing properties and steric hindrance, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl groups enhance lipophilicity and metabolic stability, contributing to improved bioavailability in active compounds. Its rigid structure also facilitates the development of high-performance materials, such as liquid crystals and specialty polymers. The compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic applications. Careful handling is advised due to potential reactivity as an aromatic amine.
4-Methyl-3,5-bis(trifluoromethyl)aniline structure
243139-67-5 structure
Product Name:4-Methyl-3,5-bis(trifluoromethyl)aniline
CAS No:243139-67-5
MF:C9H7F6N
MW:243.149003267288
CID:1029197
PubChem ID:2736161
Update Time:2025-06-09

4-Methyl-3,5-bis(trifluoromethyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-3,5-bis(trifluoromethyl)aniline
    • 3,5-BIS(TRIFLUOROMETHYL)-4-METHYLANILINE
    • 243139-67-5
    • DTXSID70371173
    • JAWFVMIGHVNJHH-UHFFFAOYSA-N
    • MFCD01631701
    • AS-50191
    • SCHEMBL15914665
    • AKOS022171812
    • O11262
    • Inchi: 1S/C9H7F6N/c1-4-6(8(10,11)12)2-5(16)3-7(4)9(13,14)15/h2-3H,16H2,1H3
    • InChI Key: JAWFVMIGHVNJHH-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C=C(C(F)(F)F)C=1C)N)(F)F

Computed Properties

  • Exact Mass: 243.04826820g/mol
  • Monoisotopic Mass: 243.04826820g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 221
  • 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: 3.4
  • Topological Polar Surface Area: 26?2

4-Methyl-3,5-bis(trifluoromethyl)aniline Security Information

  • Hazard Statement: Harmful
  • Hazardous Material Identification: Xn

4-Methyl-3,5-bis(trifluoromethyl)aniline Pricemore >>

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Additional information on 4-Methyl-3,5-bis(trifluoromethyl)aniline

Professional Introduction to 4-Methyl-3,5-bis(trifluoromethyl)aniline (CAS No: 243139-67-5)

4-Methyl-3,5-bis(trifluoromethyl)aniline, a compound with the chemical formula C9H7F6N, is a significant molecule in the field of pharmaceutical and agrochemical research. This compound is characterized by its highly substituted aromatic ring, featuring both methyl and trifluoromethyl groups at specific positions. The presence of these substituents imparts unique electronic and steric properties, making it a valuable intermediate in the synthesis of various biologically active molecules.

The CAS number 243139-67-5 serves as a unique identifier for this compound, ensuring precise referencing in scientific literature and industrial applications. The molecular structure of 4-Methyl-3,5-bis(trifluoromethyl)aniline consists of a benzene ring substituted with a methyl group at the 4-position and two trifluoromethyl groups at the 3- and 5-positions. This arrangement contributes to its stability and reactivity, which are critical factors in its utility as a building block in organic synthesis.

In recent years, there has been growing interest in the development of fluorinated aromatic compounds due to their enhanced metabolic stability and improved binding affinity to biological targets. The trifluoromethyl group, in particular, is known for its ability to modulate pharmacokinetic properties, making it a preferred moiety in drug design. The study of 4-Methyl-3,5-bis(trifluoromethyl)aniline aligns with this trend, as researchers explore its potential applications in the synthesis of novel therapeutic agents.

One of the most compelling aspects of 4-Methyl-3,5-bis(trifluoromethyl)aniline is its role as a precursor in the preparation of more complex molecules. For instance, it has been utilized in the synthesis of pharmaceutical intermediates that exhibit significant biological activity. These intermediates are further developed into final drug candidates targeting various diseases, including cancer and infectious disorders. The compound's versatility makes it an attractive choice for medicinal chemists seeking to develop innovative treatments.

The molecular properties of 4-Methyl-3,5-bis(trifluoromethyl)aniline also make it suitable for applications beyond pharmaceuticals. In agrochemical research, this compound has been investigated for its potential as a precursor in the synthesis of pesticides and herbicides. The trifluoromethyl groups contribute to the compound's lipophilicity and resistance to metabolic degradation, which are desirable traits for agrochemical formulations designed to withstand environmental conditions.

Recent advancements in synthetic chemistry have enabled more efficient methods for producing 4-Methyl-3,5-bis(trifluoromethyl)aniline on an industrial scale. These methods often involve catalytic processes that minimize waste and improve yield. Such innovations are crucial for ensuring the sustainable production of this valuable compound. Additionally, green chemistry principles have been applied to develop more environmentally friendly synthetic routes, further enhancing the compound's appeal for industrial applications.

The pharmacological potential of 4-Methyl-3,5-bis(trifluoromethyl)aniline has been explored through various computational and experimental studies. Researchers have utilized molecular modeling techniques to predict how this compound might interact with biological targets such as enzymes and receptors. These studies have provided insights into its potential therapeutic applications and have guided the design of derivative compounds with enhanced biological activity.

In conclusion, 4-Methyl-3,5-bis(trifluoromethyl)aniline (CAS No: 243139-67-5) is a versatile and highly functionalized aromatic compound with significant applications in pharmaceuticals and agrochemicals. Its unique structural features make it a valuable intermediate in organic synthesis, while its biological properties suggest potential uses in drug development. As research continues to uncover new applications for this compound, it is likely to remain a key player in the advancement of chemical biology and medicinal chemistry.

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