Celecoxib

Melting point :157-159°C
Boiling point :529.0±60.0 °C(Predicted)
Density :1.43±0.1 g/cm3(Predicted)
storage temp. :2-8°C
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
Henry's Law Constant :1.3×10⁷ mol/(m³Pa) at 25℃, HSDB (2015)
BCS Class :2
Stability :Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
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)
InChIKey :RZEKVGVHFLEQIL-UHFFFAOYSA-N
SMILES :C1(S(N)(=O)=O)=CC=C(N2C(C3=CC=C(C)C=C3)=CC(C(F)(F)F)=N2)C=C1
CAS DataBase Reference :169590-42-5(CAS DataBase Reference)
EPA Substance Registry System :Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]- (169590-42-5)

Symbol(GHS):
Signal word:	Danger
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H373 May cause damage to organs through prolonged or repeated exposure Specific target organ toxicity, repeated exposure Category 2 Warning P260, P314, P501 H410 Very toxic to aquatic life with long lasting effects Hazardous to the aquatic environment, long-term hazard Category 1 Warning P273, P391, P501
Precautionary statements:	P202 Do not handle until all safety precautions have been read and understood. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment. P280 Wear protective gloves/protective clothing/eye protection/face protection. P308+P313 IF exposed or concerned: Get medical advice/attention. P391 Collect spillage. Hazardous to the aquatic environment