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2307249-33-6

Name BAY-885
CAS 2307249-33-6
Molecular Formula C25H28F3N7O2
MDL Number MFCD32067879
Molecular Weight 515.53
MOL File 2307249-33-6.mol
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Chemical Properties

Boiling point  685.0±55.0 °C(Predicted)
density  1.362±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO:23.33(Max Conc. mg/mL);45.25(Max Conc. mM)
Ethanol:8.0(Max Conc. mg/mL);15.52(Max Conc. mM)
form  A solid
pka 7.06±0.42(Predicted)
color  White to light yellow
InChI 1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
InChIKey QXURFIGBRGWPQD-UHFFFAOYSA-N
SMILES O=C(N1CCC(CC1)C2=C3C(C=C(C=N3)N4CCN(CC4)C)=NC=N2)C5=CC=C(C=C5N)OC(F)(F)F

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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