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TONABERSAT Structure

TONABERSAT

Chemical Properties

Boiling point 554.5±50.0 °C(Predicted)
Density  1.38
storage temp.  2-8°C
solubility  Soluble in DMSO
form  powder
pka 11.86±0.60(Predicted)
color  white to beige
optical activity [α]/D -100 to -110°, c = 1 in methanol
InChI 1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
InChIKey XLIIRNOPGJTBJD-ROUUACIJSA-N
SMILES CC(C1=CC=C2C([C@H](NC(C3=CC=C(F)C(Cl)=C3)=O)[C@H](O)C(C)(C)O2)=C1)=O

Safety Information

RIDADR  UN 3077 9 / PGIII
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2

Usage And Synthesis

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