2649788-80-5

Name INDEX NAME NOT YET ASSIGNED
CAS 2649788-80-5
Molecular Formula C19H22BFN2O4S
Molecular Weight 404.26
MOL File 2649788-80-5.mol
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Chemical Properties

Boiling point  521.5±50.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
pka 11.20±0.43(Predicted)
Appearance White to light yellow Solid
InChI InChI=1S/C19H22BFN2O4S/c1-18(2,3)27-17(24)23-16-11(8-22)14-12(6-7-13(21)15(14)28-16)20-25-9-19(4,5)10-26-20/h6-7H,9-10H2,1-5H3,(H,23,24)
InChIKey YGHCWKONJMTFIZ-UHFFFAOYSA-N
SMILES C(C1=C(SC2=C(F)C=CC(B3OCC(C)(C)CO3)=C12)NC(=O)OC(C)(C)C)#N

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

Spectrum Detail

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