343630-41-1

Name NS 3623
CAS 343630-41-1
Molecular Formula C15H10BrF3N6O
Molecular Weight 427.18
MOL File 343630-41-1.mol
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Chemical Properties

density  1.759±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble to 100 mM in DMSO
form  Powder
pka 3.95±0.10(Predicted)
color  White to off-white
InChI InChI=1S/C15H10BrF3N6O/c16-9-4-5-12(11(7-9)13-22-24-25-23-13)21-14(26)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H2,20,21,26)(H,22,23,24,25)
InChIKey JXPULDIATMTIIN-UHFFFAOYSA-N
SMILES N(C1=CC=C(Br)C=C1C1=NNN=N1)C(NC1=CC=CC(C(F)(F)F)=C1)=O

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301-H413
Precautionary statements  P264-P270-P273-P301+P310+P330-P405-P501

Hazard Information

Spectrum Detail

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