4-[[2-[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]Benzoic acid
[CAS# 53498-76-3]

Identification

• Name: 4-[[2-[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]Benzoic acid
• Synonyms: 4-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxoethyl]Amino]Benzoic Acid; 4-[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoylamino]Benzoic Acid; 4-(((4-(Bis(2-Chloroethyl)Amino)Phenyl)Acetyl)Amino)Benzoic Acid
• Molecular Formula: C₁₉H₂₀Cl₂N₂O₃
• Molecular Weight: 395.28
• CAS Registry Number: 53498-76-3
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O
• InChI: 1S/C19H20Cl2N2O3/c20-9-11-23(12-10-21)17-7-1-14(2-8-17)13-18(24)22-16-5-3-15(4-6-16)19(25)26/h1-8H,9-13H2,(H,22,24)(H,25,26)
• InChIKey: WAFSPMOKDIXHAB-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 649.662°C at 760 mmHg (Cal.)
• Flash point: 346.704°C (Cal.)