583840-03-3

Name SORAFENIB N-OXIDE
CAS 583840-03-3
Molecular Formula C21H16ClF3N4O4
MDL Number MFCD09841275
Molecular Weight 480.82
MOL File 583840-03-3.mol
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Chemical Properties

Melting point  220-222oC
Boiling point  591.7±50.0 °C(Predicted)
density  1.45±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO: soluble; Methanol: very slightly soluble, heated
form  A solid
pka 12.89±0.70(Predicted)
color  white to off-white
biological source synthetic
Major Application clinical research
general analytical
life science and biopharma
metabolomics
InChI 1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31)
InChIKey BQAZCCVUZDIZDC-UHFFFAOYSA-N
SMILES CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-]

Safety Data

WGK Germany  WGK 3
Storage Class 10 - Combustible liquids

Hazard Information

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