4-[4,8-Diamino-1,5-Dihydroxy-9,10-Dihydro-9,10-Dioxo-2-Anthryl]Phenyl Benzoate
[CAS# 4104-49-8]

Identification

• Name: 4-[4,8-Diamino-1,5-Dihydroxy-9,10-Dihydro-9,10-Dioxo-2-Anthryl]Phenyl Benzoate
• Synonyms: [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxo-2-Anthryl)Phenyl] Benzoate; Benzoic Acid [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxo-2-Anthryl)Phenyl] Ester; Benzoic Acid [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Diketo-2-Anthryl)Phenyl] Ester
• Molecular Formula: C₂₇H₁₈N₂O₆
• Molecular Weight: 466.45
• CAS Registry Number: 4104-49-8
• EINECS: 223-876-8
• SMILES: C1=CC=C(C=C1)C(OC2=CC=C(C=C2)C3=C(O)C4=C(C(=C3)N)C(=O)C5=C(C4=O)C(=CC=C5O)N)=O
• InChI: 1S/C27H18N2O6/c28-17-10-11-19(30)22-20(17)26(33)23-21(25(22)32)18(29)12-16(24(23)31)13-6-8-15(9-7-13)35-27(34)14-4-2-1-3-5-14/h1-12,30-31H,28-29H2
• InChIKey: UTKGUAAJNFVYMR-UHFFFAOYSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 801.53°C at 760 mmHg (Cal.)
• Flash point: 438.55°C (Cal.)