S-(2-Bromophenyl)Mercapturic Acid
[CAS# 113276-92-9]

Identification

• Name: S-(2-Bromophenyl)Mercapturic Acid
• Synonyms: (2R)-2-Acetamido-3-(2-Bromophenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(2-Bromophenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(2-Bromophenyl)Thio]Propionic Acid
• Molecular Formula: C₁₁H₁₂BrNO₃S
• Molecular Weight: 318.18
• CAS Registry Number: 113276-92-9
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSC1=CC=CC=C1Br
• InChI: 1S/C11H12BrNO3S/c1-7(14)13-9(11(15)16)6-17-10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
• InChIKey: BCEPAWKGKVEGSZ-VIFPVBQESA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 523.186°C at 760 mmHg (Cal.)
• Flash point: 270.213°C (Cal.)