346599-63-1

Name 4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CAS 346599-63-1
Molecular Formula C6H4ClN3O
MDL Number MFCD09832903
Molecular Weight 169.57
MOL File 346599-63-1.mol

Chemical Properties

Boiling point  409.6±45.0 °C(Predicted)
density  1.549±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
pka 10.12±0.20(Predicted)
InChI InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11)
InChIKey PKKYYNMRPXEIFE-UHFFFAOYSA-N
SMILES C1=NC(Cl)=C2CC(=O)NC2=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  2933998090

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