Description

4-Methyl-2-(trifluoromethyl)aniline (CAS No. 87617-23-0) is a high-purity aromatic amine derivative with the molecular formula C₈H₈F₃N. This compound features a trifluoromethyl group and a methyl group ortho- and para- to the amino functionality, respectively, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its unique electronic and steric properties enhance reactivity in coupling reactions, nucleophilic substitutions, and as a building block for agrochemicals, dyes, and advanced materials. Available in >98% purity (GC), it is supplied in amber glass vials under inert gas to ensure stability. Suitable for use in HPLC, LC-MS, and NMR applications.

Properties

• CAS Number: 87617-23-0
• Complexity: 155
• IUPAC Name: 4-methyl-2-(trifluoromethyl)aniline
• InChI: InChI=1S/C8H8F3N/c1-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
• InChI Key: JPPWLYYUBCTQMY-UHFFFAOYSA-N
• Exact Mass: 175.06088375
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.15
• SMILES: CC1=CC(=C(C=C1)N)C(F)(F)F
• Topological: 26
• Monoisotopic Mass: 175.06088375
• Synonyms: 4-methyl-2-(trifluoromethyl)aniline, 87617-23-0, DTXSID70372221, DTXCID30323254, 2-Amino-5-methylbenzotrifluoride, 4-methyl-2-trifluoromethylaniline, 4-methyl-2-(trifluoromethyl)phenylamine, Benzenamine, 4-methyl-2-(trifluoromethyl)-, MFCD01631581, 4-methyl-2-trifluoromethyl-phenylamine, trifluromethyl toluidine, SCHEMBL184870, SCHEMBL28935397, 2-trifluoromethyl-4-methylaniline, 4-methyl-2-trifluoromethylphenylamine, CL9148, SBB089011, AKOS006228370, AC-6877, AS-46224, CS-0169344, ST50407374, EN300-103742

Application

4-Methyl-2-(trifluoromethyl)aniline is widely employed as a key intermediate in the synthesis of pharmaceuticals, particularly for trifluoromethyl-substituted bioactive molecules. It serves as a precursor in the development of agrochemicals, such as herbicides and fungicides, leveraging the electron-withdrawing effect of the CF₃ group. Researchers also utilize it in material science for designing fluorinated polymers and liquid crystals due to its thermal stability and unique polarity.

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