4-Nitrobenzoic Acid 7-Nitro-8-Quinolyl Ester
[CAS# 29007-14-5]

Identification

• Name: 4-Nitrobenzoic Acid 7-Nitro-8-Quinolyl Ester
• Synonyms: (7-Nitro-8-Quinolyl) 4-Nitrobenzoate; 4-Nitrobenzoic Acid (7-Nitro-8-Quinolyl) Ester; 5-21-03-00299 (Beilstein Handbook Reference)
• Molecular Formula: C₁₆H₉N₃O₆
• Molecular Weight: 339.26
• CAS Registry Number: 29007-14-5
• SMILES: C2=CC1=CC=CN=C1C(=C2[N+]([O-])=O)OC(=O)C3=CC=C([N+]([O-])=O)C=C3
• InChI: 1S/C16H9N3O6/c20-16(11-3-6-12(7-4-11)18(21)22)25-15-13(19(23)24)8-5-10-2-1-9-17-14(10)15/h1-9H
• InChIKey: OKIYTJMQXQZXDM-UHFFFAOYSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 621.742°C at 760 mmHg (Cal.)
• Flash point: 329.818°C (Cal.)