Celecoxib

About This Item

Molecular Formula	C₁₇H₁₄F₃N₃O₂S
CAS Number	169590-42-5

FC-0248331

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Properties

Chemical Identifiers

IUPAC Name	4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI Key	RZEKVGVHFLEQIL-UHFFFAOYSA-N
InChI	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

Physical Properties

Boiling Point	529.0±60.0
Melting Point	158.0 °C
Flash Point	273.7±32.9 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

273.7±32.9 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.