1,1'-[(6-Chloro-1,3,5-Triazine-2,4-Diyl)Diimino]Bisanthraquinone
[CAS# 17612-57-6]

Identification

• Name: 1,1'-[(6-Chloro-1,3,5-Triazine-2,4-Diyl)Diimino]Bisanthraquinone
• Synonyms: 1-[[4-Chloro-6-[(9,10-Dioxo-1-Anthryl)Amino]-1,3,5-Triazin-2-Yl]Amino]Anthracene-9,10-Dione; 1-[[4-Chloro-6-[(9,10-Diketo-1-Anthryl)Amino]-S-Triazin-2-Yl]Amino]-9,10-Anthraquinone; 1,1'-((6-Chloro-1,3,5-Triazine-2,4-Diyl)Diimino)Bisanthraquinone
• Molecular Formula: C₃₁H₁₆ClN₅O₄
• Molecular Weight: 557.95
• CAS Registry Number: 17612-57-6
• EINECS: 241-588-0
• SMILES: C5=CC=C(NC1=NC(=NC(=N1)Cl)NC2=CC=CC4=C2C(=O)C3=CC=CC=C3C4=O)C7=C5C(=O)C6=CC=CC=C6C7=O
• InChI: 1S/C31H16ClN5O4/c32-29-35-30(33-21-13-5-11-19-23(21)27(40)17-9-3-1-7-15(17)25(19)38)37-31(36-29)34-22-14-6-12-20-24(22)28(41)18-10-4-2-8-16(18)26(20)39/h1-14H,(H2,33,34,35,36,37)
• InChIKey: KHPBJIXNYDHOLY-UHFFFAOYSA-N

Properties

• Density: 1.583g/cm³ (Cal.)
• Boiling point: 855.703°C at 760 mmHg (Cal.)
• Flash point: 471.312°C (Cal.)