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NS 5806 Structure

NS 5806

Chemical Properties

Density  1.962±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >30mg/mL
pka 3.54±0.10(Predicted)
form  powder
color  white to faint yellow
InChI InChI=1S/C16H8Br2F6N6O/c17-8-4-10(13-27-29-30-28-13)12(11(18)5-8)26-14(31)25-9-2-6(15(19,20)21)1-7(3-9)16(22,23)24/h1-5H,(H2,25,26,31)(H,27,28,29,30)
InChIKey UZWJWROOLOOCPQ-UHFFFAOYSA-N
SMILES N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(NC1=C(C2=NNN=N2)C=C(Br)C=C1Br)=O

Safety Information

Hazard Codes  T
Risk Statements  25
Safety Statements  45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Chronic 4

Usage And Synthesis

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