2-[1,3-Bis[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]-1,3-Diazinan-2-Yl]-4-Nitro-Phenol
[CAS# 16757-47-4]

Identification

• Name: 2-[1,3-Bis[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]-1,3-Diazinan-2-Yl]-4-Nitro-Phenol
• Synonyms: 2-[1,3-Bis[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]Hexahydropyrimidin-2-Yl]-4-Nitro-Phenol; 2-[1,3-Bis[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]-2-Hexahydropyrimidinyl]-4-Nitrophenol; 2-[1,3-Bis[4-[Bis(2-Chloroethyl)Amino]Benzyl]Hexahydropyrimidin-2-Yl]-4-Nitro-Phenol
• Molecular Formula: C₃₂H₃₉Cl₄N₅O₃
• Molecular Weight: 683.50
• CAS Registry Number: 16757-47-4
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C2N(CCCN2CC3=CC=C(N(CCCl)CCCl)C=C3)CC4=CC=C(N(CCCl)CCCl)C=C4)O
• InChI: 1S/C32H39Cl4N5O3/c33-12-18-37(19-13-34)27-6-2-25(3-7-27)23-39-16-1-17-40(32(39)30-22-29(41(43)44)10-11-31(30)42)24-26-4-8-28(9-5-26)38(20-14-35)21-15-36/h2-11,22,32,42H,1,12-21,23-24H2
• InChIKey: RJEHJKLRNAYANU-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 738.086°C at 760 mmHg (Cal.)
• Flash point: 400.18°C (Cal.)