847553-89-3

Name SHA 68
CAS 847553-89-3
Molecular Formula C26H24FN3O3
MDL Number MFCD22683843
Molecular Weight 445.49
MOL File 847553-89-3.mol
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Chemical Properties

Boiling point  727.8±60.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 16 mg/ml; DMSO: 14 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml
form  A crystalline solid
pka 13.32±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N
SMILES C12C(C3=CC=CC=C3)(C3=CC=CC=C3)OC(=O)N1CCN(C(NCC1=CC=C(F)C=C1)=O)C2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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