(4-Toluoyl-3-Nitro)Piperazine
[CAS# 80045-69-8]

Identification

• Name: (4-Toluoyl-3-Nitro)Piperazine
• Synonyms: (4-Methyl-3-Nitro-Phenyl)-Piperazin-1-Yl-Methanone; (4-Methyl-3-Nitrophenyl)-(1-Piperazinyl)Methanone; Bbv-005850
• Molecular Formula: C₁₂H₁₅N₃O₃
• Molecular Weight: 249.27
• CAS Registry Number: 80045-69-8
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1C(=O)N2CCNCC2)C
• InChI: 1S/C12H15N3O3/c1-9-2-3-10(8-11(9)15(17)18)12(16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
• InChIKey: KRXLHSGWNOLBTF-UHFFFAOYSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 442.181°C at 760 mmHg (Cal.)
• Flash point: 221.224°C (Cal.)