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536759-91-8

Name ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 536759-91-8
EINECS(EC#) 611-033-0
Molecular Formula C22H20N4O6
MDL Number MFCD18251627
Molecular Weight 436.42
MOL File 536759-91-8.mol

Chemical Properties

Melting point  190-192°C
Boiling point  658.7±55.0 °C(Predicted)
density  1.40
vapor pressure  0Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
pka -3.80±0.20(Predicted)
color  Pale Brown to Light Orange
InChI InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
InChIKey RQNAOIQEGPVYTC-UHFFFAOYSA-N
SMILES C1(=O)N(C2=CC=C([N+]([O-])=O)C=C2)CCC2C(C(OCC)=O)=NN(C3=CC=C(OC)C=C3)C1=2
LogP 3.59 at 23℃ and pH6.57

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H227
Precautionary statements  P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

Hazard Information

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