5-Ethyl-5-Nitro-2-(4-Propan-2-Ylphenyl)-1,3-Dioxane
[CAS# 5458-34-4]

Identification

• Name: 5-Ethyl-5-Nitro-2-(4-Propan-2-Ylphenyl)-1,3-Dioxane
• Synonyms: 5-Ethyl-2-(4-Isopropylphenyl)-5-Nitro-1,3-Dioxane; Nsc23549
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.34
• CAS Registry Number: 5458-34-4
• SMILES: C1=CC(=CC=C1C2OCC(CC)([N+]([O-])=O)CO2)C(C)C
• InChI: 1S/C15H21NO4/c1-4-15(16(17)18)9-19-14(20-10-15)13-7-5-12(6-8-13)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
• InChIKey: APGKOHKGOWZYBP-UHFFFAOYSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 396.941°C at 760 mmHg (Cal.)
• Flash point: 156.766°C (Cal.)