N-n-Butyl-4-Nitro-Phthalimide
[CAS# 54395-37-8]

Identification

• Name: N-n-Butyl-4-Nitro-Phthalimide
• Synonyms: 2-Butyl-5-Nitro-Isoindoline-1,3-Dione; 2-Butyl-5-Nitroisoindoline-1,3-Dione; 2-Butyl-5-Nitro-Isoindoline-1,3-Quinone
• Molecular Formula: C₁₂H₁₂N₂O₄
• Molecular Weight: 248.24
• CAS Registry Number: 54395-37-8
• SMILES: C1=C([N+](=O)[O-])C=CC2=C1C(N(CCCC)C2=O)=O
• InChI: 1S/C12H12N2O4/c1-2-3-6-13-11(15)9-5-4-8(14(17)18)7-10(9)12(13)16/h4-5,7H,2-3,6H2,1H3
• InChIKey: LSVBBJVITBGNFC-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 390.527°C at 760 mmHg (Cal.)
• Flash point: 189.984°C (Cal.)

References

• (1): Hoon et al.. An integrated platform of genomic assays reveals small molecule bioactivities, Nature Chemical Biology, 2008