5-Fluoro-2-Aminophenol-N,N,O-Triacetate
[CAS# 114199-94-9]

Identification

• Name: 5-Fluoro-2-Aminophenol-N,N,O-Triacetate
• Synonyms: 2-[Carboxymethyl-[2-(Carboxymethyloxy)-5-Fluoro-Phenyl]Amino]Acetic Acid; 2-[Carboxymethyl-[2-(Carboxymethyloxy)-5-Fluoro-Phenyl]Amino]Ethanoic Acid; 5-F-Aptra
• Molecular Formula: C₁₂H₁₂FNO₇
• Molecular Weight: 301.23
• CAS Registry Number: 114199-94-9
• SMILES: C1=C(F)C=CC(=C1N(CC(=O)O)CC(=O)O)OCC(=O)O
• InChI: 1S/C12H12FNO7/c13-7-1-2-9(21-6-12(19)20)8(3-7)14(4-10(15)16)5-11(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)(H,19,20)
• InChIKey: LGLJEJDKAGNQPY-UHFFFAOYSA-N

Properties

• Density: 1.593g/cm³ (Cal.)
• Boiling point: 574.915°C at 760 mmHg (Cal.)
• Flash point: 301.498°C (Cal.)