1-(1,1-Dimethylethyl)-3,5-Dimethyl-2,4-Dinitrobenzene
[CAS# 71850-77-6]

Identification

• Name: 1-(1,1-Dimethylethyl)-3,5-Dimethyl-2,4-Dinitrobenzene
• Synonyms: 1-Tert-Butyl-3,5-Dimethyl-2,4-Dinitro-Benzene; 1-(1,1-Dimethylethyl)-3,5-Dimethyl-2,4-Dinitrobenzene; 1-Tert-Butyl-3,5-Dimethyl-4,6-Dinitrobenzene
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.27
• CAS Registry Number: 71850-77-6
• SMILES: C1=C(C)C(=C(C(=C1C(C)(C)C)[N+]([O-])=O)C)[N+](=O)[O-]
• InChI: 1S/C12H16N2O4/c1-7-6-9(12(3,4)5)11(14(17)18)8(2)10(7)13(15)16/h6H,1-5H3
• InChIKey: AOJWKPQIUREKNP-UHFFFAOYSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 344.837°C at 760 mmHg (Cal.)
• Flash point: 147.706°C (Cal.)