BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
- CAS NO.：1373038-59-5
- Empirical Formula: C16H15N3O5S2
- Molecular Weight: 393.44
- MDL number: MFCD30145635
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-27 16:27:43
![BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- Structural](https://img.chemicalbook.in/CAS/20150408/GIF/1373038-59-5.gif)
What is BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-?
The Uses of BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide is a reagent for the large scale synthesis of Valdecoxib, a nonsteroidal anti-inflammatory drug.
Properties of BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
| Boiling point: | 633.6±65.0 °C(Predicted) |
| Density | 1.456±0.06 g/cm3(Predicted) |
| pka | 9.68±0.60(Predicted) |
| InChI | InChI=1S/C16H15N3O5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3,(H2,17,20,21)(H2,18,22,23) |
Safety information for BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
| InChIKey | ZTJZYTUGYRMBJV-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC=CC(C2C(C3=CC=C(S(N)(=O)=O)C=C3)=C(C)ON=2)=C1 |
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