Pentachlorophenylmercapturic Acid
[CAS# 68593-98-6]

Identification

• Name: Pentachlorophenylmercapturic Acid
• Synonyms: (2R)-2-Acetamido-3-(2,3,4,5,6-Pentachlorophenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(2,3,4,5,6-Pentachlorophenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(2,3,4,5,6-Pentachlorophenyl)Thio]Propionic Acid
• Molecular Formula: C₁₁H₈Cl₅NO₃S
• Molecular Weight: 411.51
• CAS Registry Number: 68593-98-6
• SMILES: [C@H](CSC1=C(C(=C(Cl)C(=C1Cl)Cl)Cl)Cl)(C(=O)O)NC(=O)C
• InChI: 1S/C11H8Cl5NO3S/c1-3(18)17-4(11(19)20)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2H2,1H3,(H,17,18)(H,19,20)/t4-/m0/s1
• InChIKey: CXDOSRKBOPYXSZ-BYPYZUCNSA-N

Properties

• Density: 1.706g/cm³ (Cal.)
• Boiling point: 575.612°C at 760 mmHg (Cal.)
• Flash point: 301.92°C (Cal.)