168079-32-1

Name LIXIVAPTAN
CAS 168079-32-1
Molecular Formula C27H21ClFN3O2
MDL Number MFCD00937905
Molecular Weight 473.933
MOL File 168079-32-1.mol

Chemical Properties

Melting point  >114°C (dec.)
Boiling point  626.5±55.0 °C(Predicted)
density  1.32
storage temp.  room temp
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka 11.86±0.70(Predicted)
color  white to beige
InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
InChIKey PPHTXRNHTVLQED-UHFFFAOYSA-N
SMILES C(NC1=CC=C(C(N2C3=CC=CC=C3CN3C=CC=C3C2)=O)C(Cl)=C1)(=O)C1=CC(F)=CC=C1C

Safety Data

WGK Germany  3

Hazard Information

Supplier