870544-59-5

Name Urea, N-[2-[2-(1,1-diMethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoroMethoxy)phenyl]-
CAS 870544-59-5
Molecular Formula C23H22F3N3O3
MDL Number MFCD28386231
Molecular Weight 445.43
MOL File 870544-59-5.mol
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Chemical Properties

Boiling point  426.3±45.0 °C(Predicted)
density  1.307±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:34.29(Max Conc. mg/mL);76.98(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.67(Max Conc. mM)
DMF:15.0(Max Conc. mg/mL);33.67(Max Conc. mM)
Ethanol:29.77(Max Conc. mg/mL);66.83(Max Conc. mM)
form  A solid
pka 12.59±0.70(Predicted)
color  White to off-white
InChI 1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
InChIKey AHFLGPTXSIRAQK-UHFFFAOYSA-N
SMILES FC(F)(F)Oc1ccc(cc1)NC(=O)Nc2c(nccc2)Oc3c(cccc3)C(C)(C)C

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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