3-(5-Chloro-1-Benzothiophen-3-Yl)Alanine
[CAS# 23906-28-7]

Identification

• Name: 3-(5-Chloro-1-Benzothiophen-3-Yl)Alanine
• Synonyms: 2-Amino-3-(5-chlorobenzo[b]thiophen-3-yl)propionic acid; 2-Amino-3-(5-chlorobenzo[b]thiophen-3-yl)propionic acid, 2-Amino-3-(5-chlorobenzo[b]thiophen-3-yl)propanoic acid
• Molecular Formula: C₁₁H₁₀ClNO₂S
• Molecular Weight: 255.72
• CAS Registry Number: 23906-28-7
• SMILES: O=C(O)C(N)Cc1c2cc(Cl)ccc2sc1
• InChI: 1S/C11H10ClNO2S/c12-7-1-2-10-8(4-7)6(5-16-10)3-9(13)11(14)15/h1-2,4-5,9H,3,13H2,(H,14,15)
• InChIKey: HXBRBQZLKTWTHT-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Melting point: 222-225°C (Expl.)
• Boiling point: 446.51°C at 760 mmHg (Cal.)
• Flash point: 223.841°C (Cal.)
• Refractive index: 1.696 (Cal.)

Safety Data

• Safety Description: Irritant