1-Tert-Butyl-2-Methoxy-4-Methyl-5-Nitrobenzene
[CAS# 71850-79-8]

Identification

• Name: 1-Tert-Butyl-2-Methoxy-4-Methyl-5-Nitrobenzene
• Synonyms: 1-Tert-Butyl-2-Methoxy-4-Methyl-5-Nitro-Benzene; Benzene, 1-(1,1-Dimethylethyl)-2-Methoxy-4-Methyl-5-Nitro-; 1-(1,1-Dimethylethyl)-2-Methoxy-4-Methyl-5-Nitrobenzene
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.27
• CAS Registry Number: 71850-79-8
• SMILES: C1=C(OC)C(=CC(=C1C)[N+]([O-])=O)C(C)(C)C
• InChI: 1S/C12H17NO3/c1-8-6-11(16-5)9(12(2,3)4)7-10(8)13(14)15/h6-7H,1-5H3
• InChIKey: XZZSGPYXQXQYNL-UHFFFAOYSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 322.818°C at 760 mmHg (Cal.)
• Flash point: 128.608°C (Cal.)