3-Benzo[1,3]Dioxol-5-Yl-4-Nitro-1-Phenyl-Butan-1-One
[CAS# 6947-83-7]

Identification

• Name: 3-Benzo[1,3]Dioxol-5-Yl-4-Nitro-1-Phenyl-Butan-1-One
• Synonyms: 3-(1,3-Benzodioxol-5-Yl)-4-Nitro-1-Phenyl-Butan-1-One; Nsc56156
• Molecular Formula: C₁₇H₁₅NO₅
• Molecular Weight: 313.31
• CAS Registry Number: 6947-83-7
• SMILES: C1=CC(=CC2=C1OCO2)C(CC(=O)C3=CC=CC=C3)C[N+]([O-])=O
• InChI: 1S/C17H15NO5/c19-15(12-4-2-1-3-5-12)8-14(10-18(20)21)13-6-7-16-17(9-13)23-11-22-16/h1-7,9,14H,8,10-11H2
• InChIKey: AXLJDGFVXAWIRM-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 517.258°C at 760 mmHg (Cal.)
• Flash point: 227.098°C (Cal.)