1,3-Bis(3-Nitrophenyl)Urea
[CAS# 1234-21-5]

Identification

• Name: 1,3-Bis(3-Nitrophenyl)Urea
• Synonyms: Zinc01673526; Nsc41677; Mls000719904
• Molecular Formula: C₁₃H₁₀N₄O₅
• Molecular Weight: 302.25
• CAS Registry Number: 1234-21-5
• SMILES: C2=C(NC(NC1=CC=CC(=C1)[N+](=O)[O-])=O)C=CC=C2[N+](=O)[O-]
• InChI: 1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
• InChIKey: LMGCNSZBVIPYHM-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Melting point: 233-235°C (Expl.)
• Boiling point: 380.733°C at 760 mmHg (Cal.)
• Flash point: 184.061°C (Cal.)

References

• (1): Foster et al.. Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth, Nature Chemistry, 2010