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Celecoxib
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Name

Celecoxib

 EINECS 685-962-5
CAS No. 169590-42-5 Density 1.43 g/cm3
PSA 86.36000 LogP 5.29500
Solubility 7mg/L(25 oC) Melting Point 157-159 °C
Formula C17H14F3N3O2S Boiling Point 529 °C at 760 mmHg
Molecular Weight 381.378 Flash Point 273.7 °C
Transport Information N/A Appearance white to pale yellow solid
Safety 22-24/25-28-37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 169590-42-5 (Celecoxib) Hazard Symbols HarmfulXn
Synonyms

Celebrex (TN);SC 58635;YM177;4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide;YM 177;Celecoxib (JAN/USAN);benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-;

Article Data 125

Celecoxib Synthetic route

720-94-5

4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione

17852-52-7, 27918-19-0

4-hydrazinobenzene-1-sulfonamide hydrochloride

169590-42-5

4-[5-(4-(methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulphonamide

Conditions
ConditionsYield
at 90℃; Temperature;99%
In ethanol Reflux;90%
In methanol; water at 120℃; under 24002.4 Torr; for 0.221667h; Temperature; Pressure; Time; Solvent; Flow reactor;85%
853793-24-5

N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

169590-42-5

4-[5-(4-(methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulphonamide

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 8h;99%
With sulfuric acid at 20℃; for 4h;70%
With sulfuric acid at 20℃; for 2h;69%

Celecoxib Chemical Properties

Molecular Structure:

Molecular Formula: C17H14F3N3O2S
Molecular Weight: 381.3722
IUPAC Name: 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Synonyms of Celecoxib (CAS NO.169590-42-5): Celecoxib [USAN] ; 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide ; CCRIS 9330 ; Celebra ; Celebrex ; HSDB 7038 ; Onsenal ; SC 58635 ; UNII-JCX84Q7J1L ; Xilebao ; YM 177 ; YM177 ; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide ; Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-
CAS NO: 169590-42-5
Classification Code: Analgesic ; Analgesics ; Analgesics, Non-Narcotic ; Anti-Inflammatory Agents ; Anti-Inflammatory Agents, Non-Steroidal ; Anti-inflammatory ; Anti-inflammatory and analgesic [cyclooxygenase-2 inhibitor] ; Antirheumatic Agents ; Cyclooxygenase 2 Inhibitors ; Cyclooxygenase Inhibitors ; Enzyme Inhibitors ; Peripheral Nervous System Agents ; Sensory System Agents
Melting point: 157-159°C
Index of Refraction: 1.605
Molar Refractivity: 91.88 cm3
Molar Volume: 266.4 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.43 g/cm3
Flash Point: 273.7 °C
Enthalpy of Vaporization: 80.4 kJ/mol
Boiling Point: 529 °C at 760 mmHg
Vapour Pressure: 2.81E-11 mmHg at 25°C

Celecoxib Uses

  Celecoxib (CAS NO.169590-42-5) can be used in treatment of familial adenomatous polyposis.

Celecoxib Safety Profile

Hazard Codes of Celecoxib (CAS NO.169590-42-5): HarmfulXn
Risk Statements: 20/21/22 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-28-37/39 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S37/39: Wear suitable gloves and eye/face protection.

Celecoxib Standards and Recommendations

Purity of Celecoxib: >0.98

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