(2,3,4,5,6-Pentachlorophenyl) (2R)-2-(Phenylmethoxycarbonylamino)-3-(Phenylmethylsulfanyl)Propanoate
[CAS# 13673-54-6]

Identification

• Name: (2,3,4,5,6-Pentachlorophenyl) (2R)-2-(Phenylmethoxycarbonylamino)-3-(Phenylmethylsulfanyl)Propanoate
• Synonyms: (2R)-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-(Phenylmethylthio)Propanoic Acid (2,3,4,5,6-Pentachlorophenyl) Ester; (2R)-2-(Benzyloxycarbonylamino)-3-(Benzylthio)Propionic Acid (2,3,4,5,6-Pentachlorophenyl) Ester
• Molecular Formula: C₂₄H₁₈Cl₅NO₄S
• Molecular Weight: 593.74
• CAS Registry Number: 13673-54-6
• EINECS: 237-157-1
• SMILES: [C@H](C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)(NC(=O)OCC2=CC=CC=C2)CSCC3=CC=CC=C3
• InChI: 1S/C24H18Cl5NO4S/c25-17-18(26)20(28)22(21(29)19(17)27)34-23(31)16(13-35-12-15-9-5-2-6-10-15)30-24(32)33-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,30,32)/t16-/m0/s1
• InChIKey: KHJLTTGEVZUKSI-INIZCTEOSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 722.281°C at 760 mmHg (Cal.)
• Flash point: 390.621°C (Cal.)