Hexyl 3,5-Dinitrobenzoate
[CAS# 10478-04-3]

Identification

• Name: Hexyl 3,5-Dinitrobenzoate
• Synonyms: 3,5-Dinitrobenzoic Acid Hexyl Ester; Benzoic Acid, 3,5-Dinitro-, Hexyl Ester
• Molecular Formula: C₁₃H₁₆N₂O₆
• Molecular Weight: 296.28
• CAS Registry Number: 10478-04-3
• SMILES: C1=C(C=C([N+]([O-])=O)C=C1[N+]([O-])=O)C(OCCCCCC)=O
• InChI: 1S/C13H16N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3
• InChIKey: KZVBOYCZXPUDGJ-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 413.773°C at 760 mmHg (Cal.)
• Flash point: 169.624°C (Cal.)