3-Bromo-4-Oxo-4-Thien-2-Ylbutanoic Acid
[CAS# 53515-21-2]

Identification

• Name: 3-Bromo-4-Oxo-4-Thien-2-Ylbutanoic Acid
• Synonyms: (3R)-3-Bromo-4-Oxo-4-(2-Thienyl)Butanoate; (3R)-3-Bromo-4-Keto-4-(2-Thienyl)Butyrate; (3R)-3-Bromo-4-Oxo-4-Thiophen-2-Yl-Butanoate
• Molecular Formula: C₈H₆BrO₃S
• Molecular Weight: 262.10
• CAS Registry Number: 53515-21-2
• SMILES: [C@@H](Br)(CC([O-])=O)C(=O)C1=CC=CS1
• InChI: 1S/C8H7BrO3S/c9-5(4-7(10)11)8(12)6-2-1-3-13-6/h1-3,5H,4H2,(H,10,11)/p-1/t5-/m1/s1
• InChIKey: OAJPFDGCBARLHL-RXMQYKEDSA-M

Properties

• Boiling point: 405.48°C at 760 mmHg (Cal.)
• Flash point: 199.027°C (Cal.)