9-(2,4-Dinitrophenyl)Adenine
[CAS# 136112-73-7]

Identification

• Name: 9-(2,4-Dinitrophenyl)Adenine
• Synonyms: 9-(2,4-Dinitrophenyl)-6-Purinamine; [9-(2,4-Dinitrophenyl)Purin-6-Yl]Amine; 9-(2,4-Dinitrophenyl)Adenine
• Molecular Formula: C₁₁H₇N₇O₄
• Molecular Weight: 301.22
• CAS Registry Number: 136112-73-7
• SMILES: C1=NC2=C(C(=N1)N)N=C[N]2C3=CC=C(C=C3[N+](=O)[O-])[N+](=O)[O-]
• InChI: 1S/C11H7N7O4/c12-10-9-11(14-4-13-10)16(5-15-9)7-2-1-6(17(19)20)3-8(7)18(21)22/h1-5H,(H2,12,13,14)
• InChIKey: QPNNLHUBAVQESD-UHFFFAOYSA-N

Properties

• Density: 1.923g/cm³ (Cal.)
• Boiling point: 612.636°C at 760 mmHg (Cal.)
• Flash point: 324.311°C (Cal.)