2-Methyl-2-Propanyl 4-[2-Nitro-4-(Trifluoromethyl)Phenyl]-1,4-Diazepane-1-Carboxylate
[CAS 306934-72-5]

Identification

• Name: 2-Methyl-2-Propanyl 4-[2-Nitro-4-(Trifluoromethyl)Phenyl]-1,4-Diazepane-1-Carboxylate
• Synonyms: 1-(tert-Butoxycarbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]homopiperazine; 4-[2-Nitro-4-(trifluoromethyl)phenyl]homopiperazine, N1-BOC protected 97%; MFCD00729028
• Molecular Formula: C₁₇H₂₂F₃N₃O₄
• Molecular Weight: 389.37
• CAS Registry Number: 306934-72-5
• SMILES: FC(F)(F)c1ccc(c([N+]([O-])=O)c1)N2CCCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H22F3N3O4/c1-16(2,3)27-15(24)22-8-4-7-21(9-10-22)13-6-5-12(17(18,19)20)11-14(13)23(25)26/h5-6,11H,4,7-10H2,1-3H3
• InChIKey: BJFXAYXIJMFMFK-UHFFFAOYSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Melting point: 72-73°C (Expl.)
• Boiling point: 456.07°C at 760 mmHg (Cal.)
• Flash point: 229.623°C (Cal.)
• Refractive index: 1.512 (Cal.)

Safety Data

• Safety Description: Irritant