4-(6-Nitro-3-pyridinyl)benzoic acid
[CAS# 885476-90-4]

Identification

• Name: 4-(6-Nitro-3-pyridinyl)benzoic acid
• Synonyms: BENZOIC ACID,4-(6-NITRO-3-PYRIDINYL)-
• Molecular Formula: C₁₂H₈N₂O₄
• Molecular Weight: 244.20
• CAS Registry Number: 885476-90-4
• SMILES: O=[N+]([O-])c2ncc(c1ccc(C(=O)O)cc1)cc2
• InChI: 1S/C12H8N2O4/c15-12(16)9-3-1-8(2-4-9)10-5-6-11(13-7-10)14(17)18/h1-7H,(H,15,16)
• InChIKey: BRLFBOIOJXWHEC-UHFFFAOYSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 497.795°C at 760 mmHg (Cal.)
• Flash point: 254.858°C (Cal.)
• Refractive index: 1.644 (Cal.)