2,4,6-Trinitrophenolate
[CAS# 14798-26-6]

Identification

• Name: 2,4,6-Trinitrophenolate
• Synonyms: Lyddite; Melinite; Pertite
• Molecular Formula: C₆H₂N₃O₇
• Molecular Weight: 228.10
• CAS Registry Number: 14798-26-6
• SMILES: c1c(cc(c(c1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: 1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1
• InChIKey: OXNIZHLAWKMVMX-UHFFFAOYSA-M

Properties

• Boiling point: 303.56°C at 760 mmHg (Cal.)
• Flash point: 133.896°C (Cal.)
• Refractive index: (Cal.)

References

• (1): Chantal Valeriani, Philip J. Camp, Jos W. Zwanikken, René van Roij and Marjolein Dijkstra. Ion association in low-polarity solvents: comparisons between theory, simulation, and experiment, Soft Matter, 2010, 6, 2793.