1,3-Propanediol Di-p-Nitrobenzoate
[CAS# 57609-63-9]

Identification

• Name: 1,3-Propanediol Di-p-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic Acid 3-[(4-Nitrophenyl)-Oxomethoxy]Propyl Ester; 4-Nitrobenzoic Acid 3-(4-Nitrobenzoyl)Oxypropyl Ester; 3-(4-Nitrophenyl)Carbonyloxypropyl 4-Nitrobenzoate
• Molecular Formula: C₁₇H₁₄N₂O₈
• Molecular Weight: 374.31
• CAS Registry Number: 57609-63-9
• SMILES: C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• InChI: 1S/C17H14N2O8/c20-16(12-2-6-14(7-3-12)18(22)23)26-10-1-11-27-17(21)13-4-8-15(9-5-13)19(24)25/h2-9H,1,10-11H2
• InChIKey: DGEHMXCYTLBOBT-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 563.4°C at 760 mmHg (Cal.)
• Flash point: 238.847°C (Cal.)