Description

3-Nitro-4-(trifluoromethoxy)aniline (CAS No. 2822-50-6) is a high-purity aromatic amine derivative with the molecular formula C₇H₅F₃N₂O₃. This compound features a nitro group and a trifluoromethoxy group attached to an aniline backbone, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structural properties contribute to its reactivity in electrophilic substitution and coupling reactions. Ideal for researchers in medicinal chemistry, agrochemical development, and material science, this product is supplied with detailed analytical documentation including ¹H NMR, ¹³C NMR, and HPLC purity data. Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 2822-50-6
• Complexity: 241
• IUPAC Name: 3-nitro-4-(trifluoromethoxy)aniline
• InChI: InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(11)3-5(6)12(13)14/h1-3H,11H2
• InChI Key: QXIKEFNBFUHDHK-UHFFFAOYSA-N
• Exact Mass: 222.02522651
• Molecular Formula: C7H5F3N2O3
• Molecular Weight: 222.12
• SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])OC(F)(F)F
• Topological: 81.1
• Monoisotopic Mass: 222.02522651
• Synonyms: 3-Nitro-4-(trifluoromethoxy)aniline, 2822-50-6, DTXSID20346634, DTXCID50297706, 4-(Trifluoromethoxy)-3-nitroaniline, 5-Amino-2-(trifluoromethoxy)nitrobenzene, MFCD03840207, SCHEMBL1130254, 3-nitro-4-trifluoromethoxyaniline, 3-nitro-4-(trifluormethoxy)-aniline, SBB064391, AKOS015833319, 3-Nitro-4-(trifluoromethoxy)aniline #, AC-9660, SB76985, 3-nitro-4-(trifluoromethoxy)phenylamine, PS-10490, DB-047356, CS-0063203

Application

3-Nitro-4-(trifluoromethoxy)aniline is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing groups make it suitable for designing bioactive molecules with enhanced metabolic stability. Researchers utilize this compound in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex heterocycles. It also serves as a precursor for dyes and pigments due to its aromatic amine functionality.

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