Phenylmethanamine, 2,4,6-Trinitrophenol
[CAS# 25566-60-3]

Identification

• Name: Phenylmethanamine, 2,4,6-Trinitrophenol
• Synonyms: Benzylamine; 2,4,6-Trinitrophenol; Nsc77047
• Molecular Formula: C₁₃H₁₂N₄O₇
• Molecular Weight: 336.26
• CAS Registry Number: 25566-60-3
• SMILES: C1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)O)[N+]([O-])=O.C2=C(CN)C=CC=C2
• InChI: 1S/C7H9N.C6H3N3O7/c8-6-7-4-2-1-3-5-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,6,8H2;1-2,10H
• InChIKey: CRBCQCHVUUTKDG-UHFFFAOYSA-N

Properties

• Boiling point: 303.6°C at 760 mmHg (Cal.)
• Flash point: 133.9°C (Cal.)

References

• (1): N. Maulucci, I. Izzo, G. Bifulco, A. Aliberti, C. De Cola, D. Comegna, C. Gaeta, A. Napolitano, C. Pizza, C. Tedesco, D. Flot and F. De Riccardis. Synthesis, structures, and properties of nine-, twelve-, and eighteen-membered N-benzyloxyethyl cyclic α-peptoids, Chem. Commun., 2008, 3927.