1,3,3-Trinitrobutan-2-Ylbenzene
[CAS# 5437-74-1]

Identification

• Name: 1,3,3-Trinitrobutan-2-Ylbenzene
• Synonyms: [2,2-Dinitro-1-(Nitromethyl)Propyl]Benzene; Nsc16195
• Molecular Formula: C₁₀H₁₁N₃O₆
• Molecular Weight: 269.21
• CAS Registry Number: 5437-74-1
• SMILES: C1=C(C(C([N+]([O-])=O)([N+]([O-])=O)C)C[N+]([O-])=O)C=CC=C1
• InChI: 1S/C10H11N3O6/c1-10(12(16)17,13(18)19)9(7-11(14)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: AXKKBRTYHMDETD-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 407.964°C at 760 mmHg (Cal.)
• Flash point: 196.364°C (Cal.)