Cas no 1807198-97-5 (4-Bromo-3-methyl-2-(trifluoromethyl)aniline)

4-Bromo-3-methyl-2-(trifluoromethyl)aniline is a halogenated aniline derivative featuring a bromo substituent at the 4-position, a methyl group at the 3-position, and a trifluoromethyl group at the 2-position. This compound is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both bromo and trifluoromethyl groups enhances its reactivity, enabling selective functionalization for cross-coupling reactions or further derivatization. Its structural features contribute to improved stability and lipophilicity, making it useful in the design of bioactive molecules. The compound is typically handled under controlled conditions due to its sensitivity to light and moisture.
4-Bromo-3-methyl-2-(trifluoromethyl)aniline structure
1807198-97-5 structure
Product Name:4-Bromo-3-methyl-2-(trifluoromethyl)aniline
CAS No:1807198-97-5
MF:C8H7BrF3N
MW:254.047091722488
CID:4971263
Update Time:2025-11-02

4-Bromo-3-methyl-2-(trifluoromethyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-methyl-2-(trifluoromethyl)aniline
    • Inchi: 1S/C8H7BrF3N/c1-4-5(9)2-3-6(13)7(4)8(10,11)12/h2-3H,13H2,1H3
    • InChI Key: TYHRKKYMZWJVFY-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(C(F)(F)F)=C1C)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 183
  • XLogP3: 3.2
  • Topological Polar Surface Area: 26

4-Bromo-3-methyl-2-(trifluoromethyl)aniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013024653-1g
4-Bromo-3-methyl-2-(trifluoromethyl)aniline
1807198-97-5 97%
1g
1,549.60 USD 2021-06-24

4-Bromo-3-methyl-2-(trifluoromethyl)aniline Related Literature

Additional information on 4-Bromo-3-methyl-2-(trifluoromethyl)aniline

4-Bromo-3-methyl-2-(trifluoromethyl)aniline (CAS No. 1807198-97-5): A Versatile Building Block in Modern Chemistry

4-Bromo-3-methyl-2-(trifluoromethyl)aniline (CAS No. 1807198-97-5) is a highly specialized aromatic amine compound that has gained significant attention in pharmaceutical and agrochemical research. This brominated trifluoromethyl aniline derivative serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly in the development of novel drug candidates and crop protection agents.

The unique structural features of 4-Bromo-3-methyl-2-(trifluoromethyl)aniline make it particularly valuable in medicinal chemistry. The presence of both bromo and trifluoromethyl groups on the aromatic ring provides multiple sites for further functionalization, allowing chemists to create diverse molecular architectures. Recent studies in AI-assisted drug discovery have highlighted the importance of such fluorinated building blocks in designing compounds with improved metabolic stability and membrane permeability.

In the field of material science, this compound has shown promise in the development of advanced organic electronic materials. The electron-withdrawing nature of the trifluoromethyl group combined with the reactivity of the bromo substituent makes it an ideal candidate for constructing conjugated systems used in OLEDs and organic semiconductors. Researchers exploring sustainable chemistry solutions are particularly interested in developing more efficient synthetic routes to this valuable intermediate.

The global market for fluorinated aromatic compounds like 4-Bromo-3-methyl-2-(trifluoromethyl)aniline has been growing steadily, driven by increasing demand from the pharmaceutical industry and agrochemical sector. According to recent market analyses, the compound's unique combination of reactivity and structural features positions it as a key player in the development of next-generation small molecule therapeutics and crop protection agents.

From a synthetic chemistry perspective, 4-Bromo-3-methyl-2-(trifluoromethyl)aniline offers several advantages. The bromo group serves as an excellent handle for various cross-coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig couplings, which are fundamental transformations in modern drug discovery pipelines. Meanwhile, the trifluoromethyl group enhances the compound's utility in designing molecules with improved pharmacokinetic properties.

Recent advances in green chemistry have led to more sustainable production methods for 4-Bromo-3-methyl-2-(trifluoromethyl)aniline. Researchers are focusing on developing catalytic processes that minimize waste and reduce the environmental impact of chemical synthesis. These developments align with the growing industry emphasis on ESG (Environmental, Social, and Governance) principles in chemical manufacturing.

The compound's stability and handling characteristics make it suitable for various scale-up processes in industrial settings. Quality control measures for 4-Bromo-3-methyl-2-(trifluoromethyl)aniline typically involve advanced analytical techniques such as HPLC, GC-MS, and NMR spectroscopy to ensure high purity standards required for pharmaceutical applications.

In the context of intellectual property, 4-Bromo-3-methyl-2-(trifluoromethyl)aniline has been featured in numerous patent applications, particularly in areas related to kinase inhibitors and antimicrobial agents. The compound's versatility continues to make it a valuable asset in the competitive landscape of drug development and specialty chemicals.

Looking forward, the applications of 4-Bromo-3-methyl-2-(trifluoromethyl)aniline are expected to expand further as researchers explore its potential in emerging fields such as proteolysis targeting chimeras (PROTACs) and covalent inhibitors. The compound's unique structural features position it well to address current challenges in targeted therapy development and precision medicine approaches.

For researchers and manufacturers working with 4-Bromo-3-methyl-2-(trifluoromethyl)aniline, proper storage conditions (typically under inert atmosphere at low temperatures) and handling procedures are essential to maintain the compound's stability and reactivity. The growing body of literature on this compound reflects its increasing importance in both academic research and industrial applications.

Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd