3-Nitro-4-(1-Piperidinyl)-Benzoic Acid
[CAS# 26586-26-5]

Identification

• Name: 3-Nitro-4-(1-Piperidinyl)-Benzoic Acid
• Synonyms: 3-Nitro-4-(1-Piperidyl)Benzoate; 3-Nitro-4-Piperidino-Benzoate; 3-Nitro-4-Piperidin-1-Yl-Benzoate
• Molecular Formula: C₁₂H₁₃N₂O₄
• Molecular Weight: 249.25
• CAS Registry Number: 26586-26-5
• SMILES: C1=CC(=CC(=C1N2CCCCC2)[N+]([O-])=O)C([O-])=O
• InChI: 1S/C12H14N2O4/c15-12(16)9-4-5-10(11(8-9)14(17)18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)/p-1
• InChIKey: YVODCTHEVCBRCV-UHFFFAOYSA-M

Properties

• Boiling point: 452.009°C at 760 mmHg (Cal.)
• Flash point: 227.167°C (Cal.)