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Celecoxib

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Celecoxib / CAS : 169590-42-5

Appearance white powder UN 3077
HS 29359000 DG Class 9
Synonyms Celebrex; 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)Pyrazol-1-Yl]Benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Benzene Sulfonamide; 4-(5-P-Tolyl-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl)Benzenesulfonamide; 1-(4-Sulphamoylphenyl)-3-Trifluoromethyl-5-(P-Tolyl)-Pyrazole; N-[4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1Yl]Phenylsulfonyl]Benzensulfonamide
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Properties

Summary

Formula
C17H14F3N3O2S
Molecular Mass
381.37200
Exact Mass
381.07600
PSA
86.36000
Logp
5.29500
IUPAC
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antipyretic Analgesics

Chemical and Physical Properties

Melting Point
157-159ºC
Density
1.43g/cm3
Boiling Point
529ºC at 760 mmHg
Flash Point
273.7ºC
Appearance
white powder
Acidity and Basicity
alkalinity

Export information

HS Code
29359000
Export Rebate
13%
UN No.
3077
DG-Class
9
Risk Code
R20/21/22
Safety Label
Xn

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