N6,N6'-[(2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene)]bis[N6-nitroso-2,4,6-Quinazolinetriamine] diacetate
[CAS# 100036-74-6]

Identification

• Name: N6,N6'-[(2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene)]bis[N6-nitroso-2,4,6-Quinazolinetriamine] diacetate
• Synonyms: Acetic Acid; N-(2,4-Diaminoquinazolin-6-Yl)-N-[[2,3,5,6-Tetrachloro-4-[[(2,4-Diaminoquinazolin-7-Yl)-Nitroso-Amino]Methyl]Phenyl]Methyl]Nitrous Amide; Acetic Acid; N-(2,4-Diamino-6-Quinazolinyl)-N-[[2,3,5,6-Tetrachloro-4-[[(2,4-Diamino-7-Quinazolinyl)-Nitrosoamino]Methyl]Phenyl]Methyl]Nitrous Amide; Acetic Acid; N-(2,4-Diaminoquinazolin-6-Yl)-N-[2,3,5,6-Tetrachloro-4-[[(2,4-Diaminoquinazolin-7-Yl)-Nitroso-Amino]Methyl]Benzyl]Nitrous Amide
• Molecular Formula: C₂₈H₂₆Cl₄N₁₂O₆
• Molecular Weight: 768.40
• CAS Registry Number: 100036-74-6
• SMILES: C4=C(N(N=O)CC1=C(Cl)C(=C(C(=C1Cl)Cl)CN(N=O)C2=CC=C3C(=C2)N=C(N=C3N)N)Cl)C=CC5=NC(=NC(=C45)N)N.CC(=O)O.CC(=O)O
• InChI: 1S/C24H18Cl4N12O2.2C2H4O2/c25-17-13(7-39(37-41)9-2-4-15-12(5-9)22(30)36-23(31)33-15)18(26)20(28)14(19(17)27)8-40(38-42)10-1-3-11-16(6-10)34-24(32)35-21(11)29;2*1-2(3)4/h1-6H,7-8H2,(H4,29,32,34,35)(H4,30,31,33,36);2*1H3,(H,3,4)
• InChIKey: JPFDPQKOJSMVNL-UHFFFAOYSA-N

Properties

• Boiling point: 1061.1°C at 760 mmHg (Cal.)
• Flash point: 595.6°C (Cal.)