4-Chlorophenylmercapturic Acid
[CAS# 21462-48-6]

Identification

• Name: 4-Chlorophenylmercapturic Acid
• Synonyms: (2R)-2-Acetamido-3-(4-Chlorophenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(4-Chlorophenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(4-Chlorophenyl)Thio]Propionic Acid
• Molecular Formula: C₁₁H₁₂ClNO₃S
• Molecular Weight: 273.73
• CAS Registry Number: 21462-48-6
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSC1=CC=C(C=C1)Cl
• InChI: 1S/C11H12ClNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
• InChIKey: NYIHHVVSWNGRAJ-JTQLQIEISA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 520.964°C at 760 mmHg (Cal.)
• Flash point: 268.87°C (Cal.)