Hexane-3,4-diyldibenzene-4,1-diyl bis({4-[bis(2-chloroethyl)amino]phenyl}acetate)
[CAS# 19659-38-2]

Identification

• Name: Hexane-3,4-diyldibenzene-4,1-diyl bis({4-[bis(2-chloroethyl)amino]phenyl}acetate)
• Synonyms: [4-[2-[4-[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Oxyphenyl]-1-Ethyl-Butyl]Phenyl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [4-[2-[4-[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxoethoxy]Phenyl]-1-Ethylbutyl]Phenyl] Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [4-[2-[4-[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Oxyphenyl]-1-Ethyl-Butyl]Phenyl] Ester
• Molecular Formula: C₄₂H₄₈Cl₄N₂O₄
• Molecular Weight: 786.66
• CAS Registry Number: 19659-38-2
• SMILES: C1=CC(=CC=C1C(C(CC)C2=CC=C(C=C2)OC(=O)CC3=CC=C(C=C3)N(CCCl)CCCl)CC)OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl
• InChI: 1S/C42H48Cl4N2O4/c1-3-39(33-9-17-37(18-10-33)51-41(49)29-31-5-13-35(14-6-31)47(25-21-43)26-22-44)40(4-2)34-11-19-38(20-12-34)52-42(50)30-32-7-15-36(16-8-32)48(27-23-45)28-24-46/h5-20,39-40H,3-4,21-30H2,1-2H3
• InChIKey: GTWGWCYJKHSRHO-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 842.789°C at 760 mmHg (Cal.)
• Flash point: 463.502°C (Cal.)