[4-[Bis(2-Chloroethyl)Amino]Phenyl] Octanoate
[CAS# 83626-91-9]

Identification

• Name: [4-[Bis(2-Chloroethyl)Amino]Phenyl] Octanoate
• Synonyms: Octanoic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; Caprylic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; Phenol, P-(Bis(2-Chloroethyl)Amino)-, Octanoate (Ester)
• Molecular Formula: C₁₈H₂₇Cl₂NO₂
• Molecular Weight: 360.32
• CAS Registry Number: 83626-91-9
• SMILES: C1=CC(=CC=C1OC(CCCCCCC)=O)N(CCCl)CCCl
• InChI: 1S/C18H27Cl2NO2/c1-2-3-4-5-6-7-18(22)23-17-10-8-16(9-11-17)21(14-12-19)15-13-20/h8-11H,2-7,12-15H2,1H3
• InChIKey: ZZINJKRQHRPDGX-UHFFFAOYSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 465.556°C at 760 mmHg (Cal.)
• Flash point: 235.36°C (Cal.)