S-(3-Bromophenyl)Mercapturic Acid
[CAS# 113276-93-0]

Identification

• Name: S-(3-Bromophenyl)Mercapturic Acid
• Synonyms: (2R)-2-Acetamido-3-(3-Bromophenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(3-Bromophenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(3-Bromophenyl)Thio]Propionic Acid
• Molecular Formula: C₁₁H₁₂BrNO₃S
• Molecular Weight: 318.18
• CAS Registry Number: 113276-93-0
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSC1=CC=CC(=C1)Br
• InChI: 1S/C11H12BrNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-3-8(12)5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
• InChIKey: OBKMKYALNXDNBZ-JTQLQIEISA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 530.565°C at 760 mmHg (Cal.)
• Flash point: 274.676°C (Cal.)