2,2-Dimethyl-5-Nitro-5-Phenoxymethyl-1,3-Dioxane
[CAS# 97584-20-8]

Identification

• Name: 2,2-Dimethyl-5-Nitro-5-Phenoxymethyl-1,3-Dioxane
• Molecular Formula: C₁₃H₁₇NO₅
• Molecular Weight: 267.28
• CAS Registry Number: 97584-20-8
• SMILES: C1=CC=CC=C1OCC2(COC(OC2)(C)C)[N+](=O)[O-]
• InChI: 1S/C13H17NO5/c1-12(2)18-9-13(10-19-12,14(15)16)8-17-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
• InChIKey: FBCAKEFRDYZHNJ-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 381.437°C at 760 mmHg (Cal.)
• Flash point: 158.822°C (Cal.)