2-Isooctyl-4,6-Dinitrophenol
[CAS# 41227-52-5]

Identification

• Name: 2-Isooctyl-4,6-Dinitrophenol
• Synonyms: 2-(6-Methylheptyl)-4,6-Dinitro-Phenol; 2-Isooctyl-4,6-Dinitrophenol
• Molecular Formula: C₁₄H₂₀N₂O₅
• Molecular Weight: 296.32
• CAS Registry Number: 41227-52-5
• EINECS: 255-270-4
• SMILES: C1=C([N+]([O-])=O)C=C(C(=C1[N+]([O-])=O)O)CCCCCC(C)C
• InChI: 1S/C14H20N2O5/c1-10(2)6-4-3-5-7-11-8-12(15(18)19)9-13(14(11)17)16(20)21/h8-10,17H,3-7H2,1-2H3
• InChIKey: VZPYZYHXSMGBJT-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 413.223°C at 760 mmHg (Cal.)
• Flash point: 166.188°C (Cal.)