1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
- CAS NO.：221615-75-4
- Empirical Formula: C15H15NO3S
- Molecular Weight: 289.35
- MDL number: MFCD11110696
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-16 10:38:37
What is 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
The Uses of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
This compound is an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2 .
Properties of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
| Melting point: | >169oC (dec.) |
| Boiling point: | 509.7±50.0 °C(Predicted) |
| Density | 1.242±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 3.75±0.10(Predicted) |
| color | Pale Beige |
| InChI | InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3 |
Safety information for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
| InChIKey | YBFHILNBYXCJKD-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(C)N=C1)CC1=CC=C(S(C)(=O)=O)C=C1 |
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone manufacturer
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