5-(1-Methylheptyl)-2,4-Dinitrophenyl 2-Butenoate
[CAS# 71607-43-7]

Identification

• Name: 5-(1-Methylheptyl)-2,4-Dinitrophenyl 2-Butenoate
• Synonyms: [5-(1-Methylheptyl)-2,4-Dinitro-Phenyl] (E)-But-2-Enoate; (E)-But-2-Enoic Acid [5-(1-Methylheptyl)-2,4-Dinitrophenyl] Ester; (E)-But-2-Enoic Acid [5-(1-Methylheptyl)-2,4-Dinitro-Phenyl] Ester
• Molecular Formula: C₁₈H₂₄N₂O₆
• Molecular Weight: 364.40
• CAS Registry Number: 71607-43-7
• EINECS: 275-684-9
• SMILES: C1=C([N+]([O-])=O)C(=CC(=C1[N+]([O-])=O)OC(=O)\C=C\C)C(CCCCCC)C
• InChI: 1S/C18H24N2O6/c1-4-6-7-8-10-13(3)14-11-17(26-18(21)9-5-2)16(20(24)25)12-15(14)19(22)23/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
• InChIKey: UNIFEYJRGZNGBP-WEVVVXLNSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 508.03°C at 760 mmHg (Cal.)
• Flash point: 194.416°C (Cal.)