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Clonixin Structure

Clonixin

Chemical Properties

Melting point 233-235°
Boiling point 410.2±45.0 °C(Predicted)
Density  1.3230 (rough estimate)
refractive index  1.5270 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO: soluble15mg/mL, clear
form  powder
pka 1.69±0.36(Predicted)
color  white to beige
Merck  14,2392
InChI InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKey CLOMYZFHNHFSIQ-UHFFFAOYSA-N
SMILES C1(NC2=CC=CC(Cl)=C2C)=NC=CC=C1C(O)=O
CAS DataBase Reference 17737-65-4(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36/37
WGK Germany  3
RTECS  QT0960000
HS Code  2933.39.9200
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LD50 in male mice, rats (mg/kg): 415, 335 orally; 198, 148 i.p.; 296, 325 s.c. (Tanaka)

Usage And Synthesis

Preparation Products And Raw materials

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