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661487-17-8

Name tert-butyl 3-iodo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CAS 661487-17-8
Molecular Formula C11H16IN3O2
MDL Number MFCD27978466
Molecular Weight 349.168
MOL File 661487-17-8.mol
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Chemical Properties

Boiling point  454.4±45.0 °C(Predicted)
density  1.677±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
pka 12.01±0.20(Predicted)
InChI InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14)
InChIKey QXSGVQDVERTESA-UHFFFAOYSA-N
SMILES C1N(C(OC(C)(C)C)=O)CCC2NN=C(I)C1=2
CAS DataBase Reference 661487-17-8

Safety Data

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

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