331943-04-5

Name N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib
CAS 331943-04-5
Molecular Formula C17H14F3N3O2S
MDL Number MFCD21363468
Molecular Weight 381.37
MOL File 331943-04-5.mol
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Chemical Properties

Melting point  182 - 187°C
Boiling point  529.0±60.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  neat
pka 9.68±0.10(Predicted)
color  Off-White to Brown
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey LGIMTMFJBCXYRP-UHFFFAOYSA-N
SMILES C1(S(N)(=O)=O)=CC=C(N2C(C(F)(F)F)=CC(C3=CC=C(C)C=C3)=N2)C=C1

Safety Data

HS Code  2935909550

Hazard Information

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