2-(4-{2-[(4-Chlorobenzoyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
[CAS 63927-29-7]

Identification

• Classification: API >> Circulatory system medication >> Regulating blood lipids
• Name: 2-(4-{2-[(4-Chlorobenzoyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
• Synonyms: 2-(4-{2-[(4-chlorophenyl)carbonylamino]ethyl}phenoxy)-2-methylpropanoic acid; 2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid; 2-[4-[2-(4-Chlorobenzamido)ethyl]phenoxy]-2-methylpropanoic acid
• Molecular Formula: C₁₉H₂₀ClNO₄
• Molecular Weight: 361.82
• CAS Registry Number: 63927-29-7
• SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
• InChI: 1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
• InChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 572.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 299.8±28.7°C (Cal.)

References

• (1): Susanne Kern, Rebekka Baumgartner, Damian E. Helbling, Juliane Hollender, Heinz Singer, Martin J. Loos, René P. Schwarzenbach and Kathrin Fenner. A tiered procedure for assessing the formation of biotransformation products of pharmaceuticals and biocides during activated sludge treatment, J. Environ. Monit., 2010, 12, 2100.