68559-55-7

Name 4-Oxo Ticlopidine
CAS 68559-55-7
Molecular Formula C14H12ClNOS
Molecular Weight 277.77
MOL File 68559-55-7.mol
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Chemical 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

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
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

Hazard Information

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