452967-14-5

Name IR-415)
CAS 452967-14-5
Molecular Formula C13H14F2N4S
MDL Number MFCD00238878
Molecular Weight 296.34
MOL File 452967-14-5.mol
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Chemical Properties

Boiling point  439.6±55.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 125 mg/mL (421.81 mM)
form  Solid
pka 11?+-.0.70(Predicted)
color  White to off-white
InChI 1S/C13H14F2N4S/c14-10-2-3-12(11(15)8-10)18-13(20)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9H,1,4,6H2,(H2,17,18,20)
InChIKey KRSBPLFMLHNMPU-UHFFFAOYSA-N
SMILES S=C(NC1=C(F)C=C(F)C=C1)NCCCN2C=NC=C2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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