1906919-67-2

Name BAY-598(S-isomer)
CAS 1906919-67-2
Molecular Formula C22H20Cl2F2N6O3
MDL Number MFCD31726166
Molecular Weight 525.34
MOL File 1906919-67-2.mol
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Chemical Properties

Boiling point  663.5±65.0 °C(Predicted)
density  1.46±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO:69.18(Max Conc. mg/mL);131.69(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);57.11(Max Conc. mM)
Ethanol:30.0(Max Conc. mg/mL);57.11(Max Conc. mM)
form  powder
pka 13.34±0.10(Predicted)
color  white to beige
Optical Rotation [α]/D -85 to -95°, c = 1 in methanol
InChIKey LOHNYXGTWKNYDF-ZYMOGRSISA-N
SMILES ClC1=C(Cl)C=C(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(CC)C(CO)=O)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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