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1061214-06-9

Name Celecoxib iMpurity-G
CAS 1061214-06-9
Molecular Formula C15H17N3O2S
MDL Number MFCD32214871
Molecular Weight 303.38
MOL File 1061214-06-9.mol
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Chemical Properties

Melting point  224-226 °C(Solv: ethanol (64-17-5))
Boiling point  484.9±55.0 °C(Predicted)
density  1.25±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
form  Solid
pka 10.53±0.12(Predicted)
color  White to Pale Yellow
InChI InChI=1S/C15H17N3O2S/c1-11-3-5-13(6-4-11)12(2)17-18-14-7-9-15(10-8-14)21(16,19)20/h3-10,18H,1-2H3,(H2,16,19,20)
InChIKey JCRSPJLUSHTDDS-UHFFFAOYSA-N
SMILES C1(S(N)(=O)=O)=CC=C(NN=C(C2=CC=C(C)C=C2)C)C=C1

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
HS Code  2935904000

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