alpha-(3-(1,1-Dimethylethyl)-2-Hydroxyphenyl)-1-Methyl-5-Nitro-1H-Imidazole-2-Methanol
[CAS# 91219-87-3]

Identification

• Name: alpha-(3-(1,1-Dimethylethyl)-2-Hydroxyphenyl)-1-Methyl-5-Nitro-1H-Imidazole-2-Methanol
• Synonyms: 2-Tert-Butyl-6-[Hydroxy-(1-Methyl-5-Nitro-Imidazol-2-Yl)Methyl]Phenol; 2-Tert-Butyl-6-[Hydroxy-(1-Methyl-5-Nitro-2-Imidazolyl)Methyl]Phenol; 1H-Imidazole-2-Methanol, Alpha-(3-(1,1-Dimethylethyl)-2-Hydroxyphenyl)-1-Methyl-5-Nitro-
• Molecular Formula: C₁₅H₁₉N₃O₄
• Molecular Weight: 305.33
• CAS Registry Number: 91219-87-3
• SMILES: C2=C(C(=C(C(C1=NC=C([N]1C)[N+](=O)[O-])O)C=C2)O)C(C)(C)C
• InChI: 1S/C15H19N3O4/c1-15(2,3)10-7-5-6-9(12(10)19)13(20)14-16-8-11(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3
• InChIKey: MCNHVAPDUVFZDZ-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 510.434°C at 760 mmHg (Cal.)
• Flash point: 262.502°C (Cal.)