3-Amino-3-(2,4-dichlorophenyl)propanoic acid
[CAS# 778571-53-2]

Identification

• Name: 3-Amino-3-(2,4-dichlorophenyl)propanoic acid
• Synonyms: (R)-3-Amino-3-(2,4-dichlorophenyl)propionic acid; (S)-3-Amino-3-(2,4-dichlorophenyl)propionic acid; 3-(2,4-dichlorophenyl)-β-alanine
• Molecular Formula: C₉H₉Cl₂NO₂
• Molecular Weight: 234.08
• CAS Registry Number: 778571-53-2
• SMILES: C1=CC(=C(C=C1Cl)Cl)C(CC(=O)O)N
• InChI: 1S/C9H9Cl2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
• InChIKey: QGHQDRDWQIHGKZ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 240-242°C (Expl.)
• Boiling point: 371.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 178.3±27.9°C (Cal.)
• Refractive index: 1.6 (Cal.)