CAS No.169590-42-5,Celecoxib Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	169590-42-5
Name:	Celecoxib
Article Data:	125

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

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

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

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%

Raw Materials

26974-15-2

383-63-1

4392-54-5

720-94-5

122-00-9

Downstream Products

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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): Harmful 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