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| CAS No.: | 169590-42-5 |
|---|---|
| Name: | Celecoxib |
| Molecular Structure: | |
|
|
|
| Formula: | C17H14F3N3O2S |
| Molecular Weight: | 381.378 |
| 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]-; |
| EINECS: | 685-962-5 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 157-159 °C |
| Boiling Point: | 529 °C at 760 mmHg |
| Flash Point: | 273.7 °C |
| Solubility: | 7mg/L(25 oC) |
| Appearance: | white to pale yellow solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 22-24/25-28-37/39 |
| PSA: | 86.36000 |
| LogP: | 5.29500 |
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4-hydrazinobenzene-1-sulfonamide hydrochloride
- 169590-42-5
4-[5-(4-(methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulphonamide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sulfuric acid at 20℃; for 8h; | 99% |
| With sulfuric acid at 20℃; for 4h; | 70% |
| With sulfuric acid at 20℃; for 2h; | 69% |
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Chemistry
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
Uses
Celecoxib (CAS NO.169590-42-5) can be used in treatment of familial adenomatous polyposis.
Safety Profile
Hazard Codes of Celecoxib (CAS NO.169590-42-5): 
Xn
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.
Standards and Recommendations
Purity of Celecoxib: >0.98