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317318-84-6

Name GW0742
CAS 317318-84-6
EINECS(EC#) 1532714-185-1
Molecular Formula C21H17F4NO3S2
MDL Number MFCD07369423
Molecular Weight 471.49
MOL File 317318-84-6.mol
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Chemical Properties

Appearance Light Yellow Solid
Melting point  134.5-135.5 °C
Boiling point  591.5±60.0 °C(Predicted)
density  1.46±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >5 mg/mL
form  solid
pka 3.17±0.10(Predicted)
color  white
InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
InChIKey HWVNEWGKWRGSRK-UHFFFAOYSA-N
SMILES C(O)(=O)COC1=CC=C(SCC2SC(C3=CC=C(C(F)(F)F)C(F)=C3)=NC=2C)C=C1C

Safety Data

WGK Germany  3
HS Code  38220090

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