3-[4-(Methoxycarbonyl)phenyl]-3-[(trifluoroacetyl)amino]propanoic acid
[CAS# 886360-56-1]

Identification

• Name: 3-[4-(Methoxycarbonyl)phenyl]-3-[(trifluoroacetyl)amino]propanoic acid
• Synonyms: 3-(4-(methoxycarbonyl)phenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid; 3-[4-(Methoxycarbonyl)phenyl]-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid; 3-[4-(METHOXYCARBONYL)PHENYL]-3-[(2,2,2-TRIFLUOROACETYL)AMINO]PROPANOICACID
• Molecular Formula: C₁₃H₁₂F₃NO₅
• Molecular Weight: 319.23
• CAS Registry Number: 886360-56-1
• SMILES: FC(F)(F)C(=O)NC(c1ccc(cc1)C(=O)OC)CC(=O)O
• InChI: 1S/C13H12F3NO5/c1-22-11(20)8-4-2-7(3-5-8)9(6-10(18)19)17-12(21)13(14,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,19)
• InChIKey: NNFXBAVWSASERE-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Melting point: 170-173°C (Expl.)
• Boiling point: 467.2°C at 760 mmHg (Cal.)
• Flash point: 236.355°C (Cal.)
• Refractive index: 1.502 (Cal.)

Safety Data

• Safety Description: IRRITANT