2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine

• CAT Number: R048159
• CAS Number: 230615-59-5
• Molecular Formula: C13H10F3N3O5
• Molecular Weight: 345.23
• Purity: ≥95%
• Synonyms: 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
• Storage: Store at -20°C
• IUPAC Name: 1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
• InChI: InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2
• InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N
• SMILES: C1C2CN(CC1C3=CC(=C(C=C23)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(F)(F)F

2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine(CAT: R048159) is a highly functionalized, tricyclic nitrogen-containing compound characterized by a benzazepine core, dinitro substitution on the aromatic ring, and a trifluoroacetyl group at the 3-position. The rigid 1,5-methano bridge adds conformational constraint, enhancing its potential binding specificity in biological systems. The electron-withdrawing trifluoroacetyl and nitro groups modulate the compound’s electronic properties, making it suitable for pharmaceutical and agrochemical development.