(E)-4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]But-3-Enoic Acid
[CAS# 73027-06-2]

Identification

• Name: (E)-4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]But-3-Enoic Acid
• Synonyms: 3,4-Dehydrochlorambucil; 3,4-Deshydrochlorambucil; 3-Butenoic Acid, 4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)-, (E)-
• Molecular Formula: C₁₄H₁₇Cl₂NO₂
• Molecular Weight: 302.20
• CAS Registry Number: 73027-06-2
• SMILES: C1=CC(=CC=C1/C=C/CC(=O)O)N(CCCl)CCCl
• InChI: 1S/C14H17Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h1-2,4-7H,3,8-11H2,(H,18,19)/b2-1+
• InChIKey: PXOQTPQOIMSYSF-OWOJBTEDSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 490.203°C at 760 mmHg (Cal.)
• Flash point: 250.266°C (Cal.)