68559-55-7

Synonym(s):
5-(2-Chlorobenzyl)-4-oxo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

CAS NO.：68559-55-7

Empirical Formula: C14H12ClNOS

Molecular Weight: 277.77

MDL number:

PRODUCT Properties

• Boiling point: 464.5±45.0 °C(Predicted)
• Density: 1.364±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• pka: -1.60±0.20(Predicted)
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
• InChIKey: KQQBLQBNIVSMLU-UHFFFAOYSA-N
• SMILES: [s]1c2c(cc1)C(=O)N(CC2)Cc3c(cccc3)Cl

Description and Uses

A metabolite of Ticlopidine (T438325).

Safety

• Symbol(GHS): GHS08
• Signal word: Danger
• Hazard statements: H317-H334
• Precautionary statements: P261-P280-P284-P304+P340-P342+P311
• WGK Germany: WGK 3
• HS Code: 2934990002
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Resp. Sens. 1; Skin Sens. 1