3-Phenoxybenzoylglycine
[CAS 57991-36-3]

Identification

• Name: 3-Phenoxybenzoylglycine
• Synonyms: 2-[[Oxo-[3-(Phenoxy)Phenyl]Methyl]Amino]Acetic Acid; 2-[[3-(Phenoxy)Phenyl]Carbonylamino]Ethanoic Acid; N-3-(Phenoxybenzoyl)Glycine
• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.27
• CAS Registry Number: 57991-36-3
• SMILES: C1=C(C=CC=C1C(NCC(=O)O)=O)OC2=CC=CC=C2
• InChI: 1S/C15H13NO4/c17-14(18)10-16-15(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,16,19)(H,17,18)
• InChIKey: IHTUCGBIFBJPEK-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 504.314°C at 760 mmHg (Cal.)
• Flash point: 258.8°C (Cal.)

References

• (1): Anna R. McCarthy, Barbara M. Thomson, Ian C. Shaw and Andrew D. Abell. Estrogenicity of pyrethroid insecticide metabolites, J. Environ. Monit., 2006, 8, 197.