4-{[2-Fluoro-5-(Methylsulfonyl)Phenyl]Amino}-4-Oxobutanoic Acid
[CAS# 389609-83-0]

Identification

• Name: 4-{[2-Fluoro-5-(Methylsulfonyl)Phenyl]Amino}-4-Oxobutanoic Acid
• Synonyms: 4-((2-fluoro-5-(methylsulfonyl)phenyl)amino)-4-oxobutanoic acid; 4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxo; 4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxobutanoicacid
• Molecular Formula: C₁₁H₁₂FNO₅S
• Molecular Weight: 289.28
• CAS Registry Number: 389609-83-0
• SMILES: Fc1ccc(cc1NC(=O)CCC(=O)O)S(=O)(=O)C
• InChI: 1S/C11H12FNO5S/c1-19(17,18)7-2-3-8(12)9(6-7)13-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
• InChIKey: LAKQITNKYXFFCE-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Melting point: 176-178°C (Expl.)
• Boiling point: 594.228°C at 760 mmHg (Cal.)
• Flash point: 313.178°C (Cal.)
• Refractive index: 1.569 (Cal.)

Safety Data

• Safety Description: Irritant