4-Methyl-1,3-Dinitro-2-[(E)-2-Nitroethenyl]-5-Propan-2-Ylbenzene
[CAS# 34210-02-1]

Identification

• Name: 4-Methyl-1,3-Dinitro-2-[(E)-2-Nitroethenyl]-5-Propan-2-Ylbenzene
• Synonyms: 1-Isopropyl-2-Methyl-3,5-Dinitro-4-[(E)-2-Nitrovinyl]Benzene; 4-Methyl-1,3-Dinitro-2-[(E)-2-Nitroethenyl]-5-Propan-2-Yl-Benzene; Styrene, 4-Isopropyl-3-Methyl-Beta,2,6-Trinitro-, (E)-
• Molecular Formula: C₁₂H₁₃N₃O₆
• Molecular Weight: 295.25
• CAS Registry Number: 34210-02-1
• SMILES: C1=C(C(=C([N+]([O-])=O)C(=C1[N+]([O-])=O)\C=C\[N+]([O-])=O)C)C(C)C
• InChI: 1S/C12H13N3O6/c1-7(2)10-6-11(14(18)19)9(4-5-13(16)17)12(8(10)3)15(20)21/h4-7H,1-3H3/b5-4+
• InChIKey: YTIOPNHCAHIHFP-SNAWJCMRSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 432.091°C at 760 mmHg (Cal.)
• Flash point: 202.973°C (Cal.)