2,4, 6-Trinitro-Tert-Butyltoluene
[CAS# 547-94-4]

Identification

• Name: 2,4, 6-Trinitro-Tert-Butyltoluene
• Synonyms: 2-Tert-Butyl-4-Methyl-1,3,5-Trinitro-Benzene; 2,4,6-Trinitro-3-Tert-Butyltoluene; 2,4,6-Trinitro-Tert-Butyltoluene
• Molecular Formula: C₁₁H₁₃N₃O₆
• Molecular Weight: 283.24
• CAS Registry Number: 547-94-4
• SMILES: C1=C(C(=C(C(=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)C)[N+]([O-])=O
• InChI: 1S/C11H13N3O6/c1-6-7(12(15)16)5-8(13(17)18)9(11(2,3)4)10(6)14(19)20/h5H,1-4H3
• InChIKey: JHGWQSGWUPCKNT-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 382.547°C at 760 mmHg (Cal.)
• Flash point: 173.008°C (Cal.)