(2S,3aS,5S,6aS)-2,5-Dinitrooctahydropentalene
[CAS# 169525-07-9]

Identification

• Name: (2S,3aS,5S,6aS)-2,5-Dinitrooctahydropentalene
• Molecular Formula: C₈H₁₂N₂O₄
• Molecular Weight: 200.19
• CAS Registry Number: 169525-07-9
• SMILES: C1[C@@H](C[C@@H]2[C@H]1C[C@H](C2)[N+](=O)[O-])[N+](=O)[O-]
• InChI: 1S/C8H12N2O4/c11-9(12)7-1-5-2-8(10(13)14)4-6(5)3-7/h5-8H,1-4H2/t5-,6+,7+,8-
• InChIKey: PIDOIRCVMOYRIQ-SOSBWXJGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 350.2±22.0°C at 760 mmHg (Cal.)
• Flash point: 175.6±15.1°C (Cal.)
• Refractive index: 1.536 (Cal.)