Bufrolin
[CAS# 54867-56-0]

Identification

• Name: Bufrolin
• Synonyms: 6-Butyl-4,10-Diketo-1,7-Dihydro-1,7-Phenanthroline-2,8-Dicarboxylic Acid; Ici-74917; 6-Butyl-1,4,7,10-Tetrahydro-4,10-Dioxo-1,7-Phenanthroline-2,8-Dicarbonsaeure
• Molecular Formula: C₁₈H₁₆N₂O₆
• Molecular Weight: 356.33
• CAS Registry Number: 54867-56-0
• SMILES: C1=C(C3=C(C2=C1C(C=C(N2)C(O)=O)=O)C(C=C(N3)C(O)=O)=O)CCCC
• InChI: 1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
• InChIKey: BQVIONBNDNFCCP-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 609.606°C at 760 mmHg (Cal.)
• Flash point: 322.478°C (Cal.)