1-Hexadecyl-3-(4-Nitrophenyl)Urea
[CAS# 6313-97-9]

Identification

• Name: 1-Hexadecyl-3-(4-Nitrophenyl)Urea
• Synonyms: 1-Cetyl-3-(4-Nitrophenyl)Urea; Nsc40598
• Molecular Formula: C₂₃H₃₉N₃O₃
• Molecular Weight: 405.58
• CAS Registry Number: 6313-97-9
• SMILES: C1=CC(=CC=C1NC(NCCCCCCCCCCCCCCCC)=O)[N+]([O-])=O
• InChI: 1S/C23H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-23(27)25-21-16-18-22(19-17-21)26(28)29/h16-19H,2-15,20H2,1H3,(H2,24,25,27)
• InChIKey: OFTKGWZUBGTPJA-UHFFFAOYSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 516.809°C at 760 mmHg (Cal.)
• Flash point: 266.356°C (Cal.)