5-Nitro-1-Methyl-Imidazolyl-6-Tert-Butyl-5-Hydroxy-2-Methoxy-Phenyl-Carbinol
[CAS# 83940-41-4]

Identification

• Name: 5-Nitro-1-Methyl-Imidazolyl-6-Tert-Butyl-5-Hydroxy-2-Methoxy-Phenyl-Carbinol
• Synonyms: 2-Tert-Butyl-3-[Hydroxy-(1-Methyl-5-Nitro-Imidazol-2-Yl)Methyl]-4-Methoxy-Phenol; 2-Tert-Butyl-3-[Hydroxy-(1-Methyl-5-Nitro-2-Imidazolyl)Methyl]-4-Methoxyphenol; 1H-Imidazole-2-Methanol, Alpha-(3-Hydroxy-6-Methoxy-2-(1,1-Dimethylethyl)Phenyl)-1-Methyl-5-Nitro-
• Molecular Formula: C₁₆H₂₁N₃O₅
• Molecular Weight: 335.36
• CAS Registry Number: 83940-41-4
• SMILES: C1=CC(=C(C(=C1OC)C(O)C2=NC=C([N]2C)[N+]([O-])=O)C(C)(C)C)O
• InChI: 1S/C16H21N3O5/c1-16(2,3)13-9(20)6-7-10(24-5)12(13)14(21)15-17-8-11(18(15)4)19(22)23/h6-8,14,20-21H,1-5H3
• InChIKey: ACPNSCZYTIZEKI-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 586.545°C at 760 mmHg (Cal.)
• Flash point: 308.532°C (Cal.)