3-Benzyl-6-bromo-2-chloroquinoline , 97% , 654655-68-2

CAS NO.：654655-68-2

Empirical Formula: C16H11BrClN

Molecular Weight: 332.62

MDL number: MFCD22493487

PRODUCT Properties

• Melting point: 111-112℃
• Boiling point: 435.9±40.0 °C(Predicted)
• Density: 1.482±0.06 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• pka: -0.42±0.50(Predicted)
• Appearance: White to yellow Solid
• InChI: InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
• InChIKey: UGXUDVNBDYIJHJ-UHFFFAOYSA-N
• SMILES: N1C2C(=CC(Br)=CC=2)C=C(CC2=CC=CC=C2)C=1Cl

Description and Uses

3-Benzyl-6-bromo-2-chloroquinoline is an intermediate in the synthesis of (αS,βR)-Bedaquiline (B119540), which is a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338