581073-80-5

Name KJ Pyr 9
CAS 581073-80-5
Molecular Formula C22H15N3O4
Molecular Weight 385.37
MOL File 581073-80-5.mol

Chemical Properties

Boiling point  584.4±50.0 °C(Predicted)
density  1.320±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  ≤20mg/ml in DMSO;25mg/ml in dimethyl formamide
form  crystalline solid
pka 15.34±0.50(Predicted)
color  Light yellow to yellow
InChI 1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)
InChIKey GTTDVYCKFQYVNN-UHFFFAOYSA-N
SMILES [N+](=O)([O-])c1ccc(cc1)c2nc(cc(c2)c4ccc(cc4)C(=O)N)c3[o]ccc3

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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