1,3,5-Tris(1,1-Dimethylethoxy)-2,4,6-Trinitrobenzene
[CAS# 68959-39-7]

Identification

• Name: 1,3,5-Tris(1,1-Dimethylethoxy)-2,4,6-Trinitrobenzene
• Synonyms: 1,3,5-Tritert-Butoxy-2,4,6-Trinitro-Benzene; 1,3,5-Tritert-Butoxy-2,4,6-Trinitrobenzene; 1,3,5-Tris[(2-Methylpropan-2-Yl)Oxy]-2,4,6-Trinitro-Benzene
• Molecular Formula: C₁₈H₂₇N₃O₉
• Molecular Weight: 429.43
• CAS Registry Number: 68959-39-7
• SMILES: CC(OC1=C([N+]([O-])=O)C(=C(C(=C1[N+]([O-])=O)OC(C)(C)C)[N+]([O-])=O)OC(C)(C)C)(C)C
• InChI: 1S/C18H27N3O9/c1-16(2,3)28-13-10(19(22)23)14(29-17(4,5)6)12(21(26)27)15(11(13)20(24)25)30-18(7,8)9/h1-9H3
• InChIKey: YAAPNNQLHAUDIQ-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 554.782°C at 760 mmHg (Cal.)
• Flash point: 207.273°C (Cal.)