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Etoricoxib Impurity 29
[CAS# 40061-50-5]

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Identification
Name Etoricoxib Impurity 29
Synonyms 2-(4-Methanesulfonylphenyl)-1-pyridin-3-ylethanone
Molecular Structure CAS # 40061-50-5, Etoricoxib Impurity 29, 2-(4-Methanesulfonylphenyl)-1-pyridin-3-ylethanone
Molecular Formula C14H13NO3S
Molecular Weight 275.32
CAS Registry Number 40061-50-5
SMILES CS(=O)(=O)C1=CC=C(C=C1)CC(=O)C2=CN=CC=C2
Properties
Solubility 3803 mg/L (25 ºC water)
Density 1.3±0.1 g/cm3, Calc.*
Index of Refraction 1.580, Calc.*
Melting point 165.52 ºC
Boiling Point 415.76 ºC, 506.3±50.0 ºC (760 mmHg), Calc.*
Flash Point 260.0±30.1 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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