Pyrrolnitrin
[CAS# 1018-71-9]

Identification

• Name: Pyrrolnitrin
• Synonyms: 3-Chloro-4-(3-Chloro-2-Nitro-Phenyl)-1H-Pyrrole; 1H-Pyrrole, 3-Chloro-4-(3-Chloro-2-Nitrophenyl)-; 3-Chloro-4-(2'-Nitro-3'-Chlorophenyl)Pyrrole
• Molecular Formula: C₁₀H₆Cl₂N₂O₂
• Molecular Weight: 257.08
• CAS Registry Number: 1018-71-9
• EINECS: 213-812-7
• SMILES: C2=C(C1=C[NH]C=C1Cl)C(=C(C=C2)Cl)[N+](=O)[O-]
• InChI: 1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
• InChIKey: QJBZDBLBQWFTPZ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 410.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 202.1±28.7°C (Cal.)

References

• (1): Hui Feng, Jing Ma and Zheng Hu. Nitrogen-doped carbon nanotubes functionalized by transition metal atoms: a density functional study, J. Mater. Chem., 2010, 20, 1702.