Methyl 3-Nitro-4-(1-Piperazinyl)Benzoate
[CAS# 192441-86-4]

Identification

• Name: Methyl 3-Nitro-4-(1-Piperazinyl)Benzoate
• Synonyms: 3-Nitro-4-piperazin-1-yl-benzoic acid methyl ester; Methyl 3-nitro-4-piperazinobenzenecarboxylate; methyl 3-nitro-4-piperazinylbenzoate
• Molecular Formula: C₁₂H₁₅N₃O₄
• Molecular Weight: 265.27
• CAS Registry Number: 192441-86-4
• SMILES: [O-][N+](=O)c1cc(C(=O)OC)ccc1N2CCNCC2
• InChI: 1S/C12H15N3O4/c1-19-12(16)9-2-3-10(11(8-9)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
• InChIKey: YKSGLWWWNVWICU-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Melting point: 73-75°C (Expl.)
• Boiling point: 455.953°C at 760 mmHg (Cal.)
• Flash point: 229.552°C (Cal.)
• Refractive index: 1.571 (Cal.)

Safety Data

• Safety Description: IRRITANT