Cas no 243128-44-1 (2-Methyl-3,5-bis(trifluoromethyl)aniline)

2-Methyl-3,5-bis(trifluoromethyl)aniline is a fluorinated aromatic amine characterized by the presence of two trifluoromethyl groups and a methyl substituent on the aniline ring. This structure imparts high electron-withdrawing properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl groups enhance metabolic stability and lipophilicity, which can improve bioavailability in active compounds. Its reactivity as an aniline derivative allows for further functionalization, such as diazotization or coupling reactions. The compound is typically handled under inert conditions due to its sensitivity to oxidation. Its precise steric and electronic properties make it useful in the design of specialized ligands and catalysts.
2-Methyl-3,5-bis(trifluoromethyl)aniline structure
243128-44-1 structure
Product Name:2-Methyl-3,5-bis(trifluoromethyl)aniline
CAS No:243128-44-1
MF:C9H7F6N
MW:243.149003267288
MDL:MFCD00729099
CID:820880
Update Time:2025-10-05

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

Names and Identifiers

    • 2-Methyl-3,5-bis(trifluoromethyl)aniline
    • 2-methyl-3,5-di(trifluoromethyl)aniline
    • 3,5-Bis(trifluoromethyl)-2-methylaniline
    • HMS1609E02
    • AK105911
    • PubChem10076
    • KWCSYADBUUUTPF-UHFFFAOYSA-N
    • PC6849
    • SBB099692
    • CL8989
    • AM83199
    • VZ24910
    • ZB008064
    • AX8007427
    • ST2417059
    • AB0062001
    • Z4476
    • F
    • MDL: MFCD00729099
    • Inchi: 1S/C9H7F6N/c1-4-6(9(13,14)15)2-5(3-7(4)16)8(10,11)12/h2-3H,16H2,1H3
    • InChI Key: KWCSYADBUUUTPF-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(F)(F)F)C=C(C=1C)N)(F)F

Computed Properties

  • Exact Mass: 243.04800
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 245
  • Topological Polar Surface Area: 26

Experimental Properties

  • Boiling Point: 120-121/43mm
  • PSA: 26.02000
  • LogP: 4.19600

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

2-Methyl-3,5-bis(trifluoromethyl)aniline Customs Data

  • HS CODE:2921430090
  • Customs Data:

    China Customs Code:

    2921430090

    Overview:

    2921430090 Toluidine and its derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union

    Summary:

    HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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

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2-Methyl-3,5-bis(trifluoromethyl)aniline Suppliers

Amadis Chemical Company Limited
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(CAS:243128-44-1)2-Methyl-3,5-bis(trifluoromethyl)aniline
Order Number:A817215
Stock Status:in Stock
Quantity:10g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:08
Price ($):947.0/485.0

Additional information on 2-Methyl-3,5-bis(trifluoromethyl)aniline

Comprehensive Overview of 2-Methyl-3,5-bis(trifluoromethyl)aniline (CAS No. 243128-44-1)

2-Methyl-3,5-bis(trifluoromethyl)aniline is a specialized aromatic amine compound with significant applications in pharmaceutical intermediates, agrochemicals, and advanced material synthesis. Its unique molecular structure, featuring trifluoromethyl groups and a methyl-substituted aniline core, makes it a valuable building block in modern organic chemistry. The compound's CAS number 243128-44-1 serves as a critical identifier for researchers and regulatory compliance.

In recent years, the demand for fluorinated aniline derivatives has surged due to their enhanced stability, lipophilicity, and bioavailability. These properties align with current trends in drug discovery, where trifluoromethylated compounds are increasingly sought after for their ability to improve metabolic resistance and membrane permeability. The 2-methyl-3,5-bis(trifluoromethyl)aniline structure particularly excels in creating active pharmaceutical ingredients (APIs) for targeted therapies.

The synthesis of CAS 243128-44-1 typically involves multi-step processes including Friedel-Crafts alkylation and nucleophilic substitution reactions. Advanced purification techniques such as column chromatography or crystallization ensure high purity levels (>98%), which is essential for research and industrial applications. Analytical characterization via HPLC, NMR, and mass spectrometry confirms the compound's structural integrity.

From an environmental perspective, 2-methyl-3,5-bis(trifluoromethyl)aniline demonstrates improved eco-toxicological profiles compared to traditional halogenated analogs. This characteristic addresses growing concerns about sustainable chemistry and green manufacturing processes. The compound's thermal stability (decomposition point >200°C) also makes it suitable for high-temperature applications in material science.

Industrial applications of this compound extend to liquid crystal displays (LCDs) and organic light-emitting diodes (OLEDs), where its electron-withdrawing trifluoromethyl groups enhance charge transport properties. Recent patent literature reveals innovative uses in photovoltaic materials and specialty coatings, responding to the global push for renewable energy technologies.

Quality control standards for 243128-44-1 require strict monitoring of residual solvents and heavy metal content. Reputable suppliers provide comprehensive technical data sheets (TDS) and material safety data sheets (MSDS) that comply with REACH and other international regulations. Storage recommendations typically include amber glass containers under inert gas at controlled temperatures.

Emerging research explores the compound's potential in asymmetric catalysis and chiral auxiliary applications. The steric effects from its bis(trifluoromethyl) groups create unique spatial environments for stereoselective reactions—a hot topic in contemporary synthetic methodology development. Computational chemistry studies predict further unexplored reactivity patterns of this scaffold.

For researchers sourcing 2-methyl-3,5-bis(trifluoromethyl)aniline, key considerations include batch-to-batch consistency, supplier reliability, and analytical documentation. The compound's pricing reflects the complexity of its synthesis and purification, with current market trends showing steady demand from North American and Asian pharmaceutical hubs.

Future developments may focus on continuous flow chemistry approaches to produce CAS 243128-44-1 more efficiently. The integration of artificial intelligence in retrosynthetic analysis could unlock novel pathways for its preparation, addressing both cost and sustainability challenges in fine chemical manufacturing.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:243128-44-1)2-Methyl-3,5-bis(trifluoromethyl)aniline
A817215
Purity:99%/99%
Quantity:10g/5g
Price ($):947.0/485.0
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