(3S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-6-(trifluoromethyl)-1H-ind ol-2-one Structure

(3S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-6-(trifluoromethyl)-1H-ind ol-2-one

Chemical Properties

Boiling point 436.9±45.0 °C(Predicted)
Density  1.50±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble to 100 mM in DMSO and to 100 mM in ethanol
form  Powder
pka 10.43±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1
InChIKey ULYONBAOIMCNEH-HNNXBMFYSA-N
SMILES N1C2=C(C=CC(C(F)(F)F)=C2)[C@@](C2=CC(Cl)=CC=C2OC)(F)C1=O
FDA UNII J57O328W4W
UNSPSC Code 12352200
NACRES NA.77

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
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