955272-06-7

Name 2-(2-chlorophenyl)-4-Methyl-5-(pyridin-2-ylMethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CAS 955272-06-7
Molecular Formula C19H15ClN4O2
MDL Number MFCD09961532
Molecular Weight 366.8
MOL File 955272-06-7.mol

Chemical Properties

Boiling point  530.2±60.0 °C(Predicted)
density  1.48±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF:25.0(Max Conc. mg/mL);68.16(Max Conc. mM)
DMSO:30.0(Max Conc. mg/mL);81.79(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:6):0.14(Max Conc. mg/mL);0.38(Max Conc. mM)
Ethanol:1.0(Max Conc. mg/mL);2.73(Max Conc. mM)
form  A solid
pka 4.22±0.12(Predicted)
color  Off-white to light brown
InChI 1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
InChIKey DNKYHHFCPXKFIY-UHFFFAOYSA-N
SMILES Clc1c(cccc1)[n]2[nH]c3c([c]2=O)c([n]([c](c3)=O)Cc4ncccc4)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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