Methyl 5-nitro-2-(1-piperazinyl)benzoate
[CAS# 886360-73-2]

Identification

• Name: Methyl 5-nitro-2-(1-piperazinyl)benzoate
• Synonyms: 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester; BENZOIC ACID,5-NITRO-2-(1-PIPERAZINYL)-, METHYL ESTER; Methyl 5-nitro-2-piperazinobenzenecarboxylate
• Molecular Formula: C₁₂H₁₅N₃O₄
• Molecular Weight: 265.27
• CAS Registry Number: 886360-73-2
• SMILES: [O-][N+](=O)c1cc(c(cc1)N2CCNCC2)C(=O)OC
• InChI: 1S/C12H15N3O4/c1-19-12(16)10-8-9(15(17)18)2-3-11(10)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
• InChIKey: PYZUYRBYEKFTPS-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Melting point: 113-115°C (Expl.)
• Boiling point: 454.081°C at 760 mmHg (Cal.)
• Flash point: 228.42°C (Cal.)
• Refractive index: 1.571 (Cal.)

Safety Data

• Safety Description: IRRITANT