2-{[(Benzyloxy)Carbonyl]Amino}-3,3,3-Trifluoro-2-Methylpropanoic Acid
[CAS# 139520-43-7]

Identification

• Name: 2-{[(Benzyloxy)Carbonyl]Amino}-3,3,3-Trifluoro-2-Methylpropanoic Acid
• Synonyms: 2-([(BENZYLOXY)CARBONYL]AMINO)-3,3,3-TRIFLUORO-2-METHYLPROPANOICACID; 2-(benzyloxycarbonylamino)-3,3,3-trifluoro-2-methyl-propanoic acid; 2-Amino-2-methyl-3,3,3-trifluoropropanoic acid, N-CBZ protected
• Molecular Formula: C₁₂H₁₂F₃NO₄
• Molecular Weight: 291.22
• CAS Registry Number: 139520-43-7
• SMILES: FC(F)(F)C(C(=O)O)(NC(=O)OCc1ccccc1)C
• InChI: 1S/C12H12F3NO4/c1-11(9(17)18,12(13,14)15)16-10(19)20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19)(H,17,18)
• InChIKey: RYJHDHKGSWTBEV-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 404.68°C at 760 mmHg (Cal.)
• Flash point: 198.543°C (Cal.)
• Refractive index: 1.495 (Cal.)

Safety Data

• Safety Description: Irritant