2-Chloroethyl 4-[Bis(2-Chloroethyl)Amino]Phenylbutyrate
[CAS# 94236-91-6]

Identification

• Name: 2-Chloroethyl 4-[Bis(2-Chloroethyl)Amino]Phenylbutyrate
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid 2-Chloroethyl Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyric Acid 2-Chloroethyl Ester; 2-Chloroethyl 4-(Bis(2-Chloroethyl)Amino)Phenylbutyrate
• Molecular Formula: C₁₆H₂₂Cl₃NO₂
• Molecular Weight: 366.71
• CAS Registry Number: 94236-91-6
• EINECS: 304-088-4
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)C(C(OCCCl)=O)CC
• InChI: 1S/C16H22Cl3NO2/c1-2-15(16(21)22-12-9-19)13-3-5-14(6-4-13)20(10-7-17)11-8-18/h3-6,15H,2,7-12H2,1H3
• InChIKey: PLTCGKKEIOBQDM-UHFFFAOYSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 480.011°C at 760 mmHg (Cal.)
• Flash point: 244.102°C (Cal.)