(2,3,4,5,6-Pentachlorophenyl) 3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoate
[CAS# 3086-21-3]

Identification

• Name: (2,3,4,5,6-Pentachlorophenyl) 3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoate
• Synonyms: 2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropanoic Acid (2,3,4,5,6-Pentachlorophenyl) Ester; 2-(Benzyloxycarbonylamino)-3-Phenyl-Propionic Acid (2,3,4,5,6-Pentachlorophenyl) Ester; Nsc120020
• Molecular Formula: C₂₃H₁₆Cl₅NO₄
• Molecular Weight: 547.65
• CAS Registry Number: 3086-21-3
• SMILES: C3=C(CC(NC(OCC1=CC=CC=C1)=O)C(OC2=C(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl)=O)C=CC=C3
• InChI: 1S/C23H16Cl5NO4/c24-16-17(25)19(27)21(20(28)18(16)26)33-22(30)15(11-13-7-3-1-4-8-13)29-23(31)32-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,29,31)
• InChIKey: JMMQXIKTWGCUMQ-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 676.488°C at 760 mmHg (Cal.)
• Flash point: 362.927°C (Cal.)