Celecoxib

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CAS NO.: 169590-42-5 Catalog: AO500
Formula: C17H14F3N3O2S Purity: 98.00% +
Molecular Weight: 381.4 Pubchem CID: 2662
InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Storage: Store in a cool, dry and well-ventilated area away from incompatible substances.
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Properties Information

Melting point:
157-159°C
Boiling point:
529.0±60.0 °C(Predicted)
Density 
1.43±0.1 g/cm3(Predicted)
storage temp. 
Store at RT
solubility 
DMSO: >20mg/mL
pka
9.68±0.10(Predicted)
form 
powder
color 
white to off-white
Water Solubility 
7mg/L(25 ºC)
Merck 
14,1956

Safety Information

Symbol(GHS) 

GHS08
Signal word 
Danger
Hazard statements 
H360D
Precautionary statements 
P201-P280-P308+P313
Hazard Codes 
Xn
Risk Statements 
20/21/22-52-61-60
Safety Statements 
22-24/25-28-37/39
RIDADR 
UN 3077 9 / PGIII
WGK Germany 
3
RTECS 
DB2944937
Hazard Class 
IRRITANT
HS Code 
29350090