1-Nitro-3-[(1E)-2-Nitro-1-Propen-1-Yl]Benzene
[CAS# 134538-50-4]

Identification

• Name: 1-Nitro-3-[(1E)-2-Nitro-1-Propen-1-Yl]Benzene
• Synonyms: 1-nitro-3-(2-nitroprop-1-enyl)benzene; 3-((1E)-2-nitroprop-1-enyl)-1-nitrobenzene
• Molecular Formula: C₉H₈N₂O₄
• Molecular Weight: 208.17
• CAS Registry Number: 134538-50-4
• SMILES: O=[N+]([O-])c1cc(\C=C(\[N+]([O-])=O)C)ccc1
• InChI: 1S/C9H8N2O4/c1-7(10(12)13)5-8-3-2-4-9(6-8)11(14)15/h2-6H,1H3/b7-5+
• InChIKey: OERQCTVLGKJURQ-FNORWQNLSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 346.86°C at 760 mmHg (Cal.)
• Flash point: 169.523°C (Cal.)
• Refractive index: 1.622 (Cal.)

References

• (1): Jian-Ke Yang, Mei Zheng, Shu-Ping Luo and Zhao-Bo Li . 1-Nitro-4-(2-nitroprop-1-enyl)benzene , Acta Cryst (2010). E66, o1781Â Â