2,4,5-Trichlorophenyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-beta-Alaninate
[CAS# 3303-86-4]

Identification

• Name: 2,4,5-Trichlorophenyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-beta-Alaninate
• Synonyms: BOC-β-ALA-OTCP
• Molecular Formula: C₁₄H₁₆Cl₃NO₄
• Molecular Weight: 368.64
• CAS Registry Number: 3303-86-4
• SMILES: CC(C)(C)OC(=O)NCCC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
• InChI: 1S/C14H16Cl3NO4/c1-14(2,3)22-13(20)18-5-4-12(19)21-11-7-9(16)8(15)6-10(11)17/h6-7H,4-5H2,1-3H3,(H,18,20)
• InChIKey: ZADVZEPSEXEPQI-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 479.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 244.0±28.7°C (Cal.)