(2,4-Dinitro-6-Octan-2-Ylphenyl) 2-Chlorobutanoate
[CAS# 2411-01-0]

Identification

• Name: (2,4-Dinitro-6-Octan-2-Ylphenyl) 2-Chlorobutanoate
• Synonyms: [2-(1-Methylheptyl)-4,6-Dinitro-Phenyl] 2-Chlorobutanoate; 2-Chlorobutanoic Acid [2-(1-Methylheptyl)-4,6-Dinitrophenyl] Ester; 2-Chlorobutyric Acid [2-(1-Methylheptyl)-4,6-Dinitro-Phenyl] Ester
• Molecular Formula: C₁₈H₂₅ClN₂O₆
• Molecular Weight: 400.86
• CAS Registry Number: 2411-01-0
• SMILES: C1=C(C(=C([N+]([O-])=O)C=C1[N+]([O-])=O)OC(=O)C(Cl)CC)C(CCCCCC)C
• InChI: 1S/C18H25ClN2O6/c1-4-6-7-8-9-12(3)14-10-13(20(23)24)11-16(21(25)26)17(14)27-18(22)15(19)5-2/h10-12,15H,4-9H2,1-3H3
• InChIKey: FQHWVRPELKNIHV-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 466.516°C at 760 mmHg (Cal.)
• Flash point: 235.941°C (Cal.)