Molecular Formula | C6H10ClN3O2S |
Molar Mass | 223.68 |
Density | 1.644[at 20℃] |
Melting Point | 149-152°C(lit.) |
Boling Point | 434.7 °C at 760 mmHg |
Water Solubility | Soluble in water. |
Solubility | Organic solvents such as DMSO and ethanol |
Appearance | Powder |
Color | White to Light yellow to Light orange |
Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
Sensitive | Hygroscopic |
Physical and Chemical Properties | Appearance: white powder |
Use | Pharmaceutical Intermediates, mainly used in the production of celecoxib |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | DA9380000 |
HS Code | 29350090 |
Hazard Note | Irritant |
LogP | -0.99 at 20℃ |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Preparation | The β-diketone intermediate is obtained by Claisen condensation of p-methyl acetophenone and ethyl trifluoroacetate under alkaline conditions. The intermediate can be directly condensed and cyclized with p-hydrazinyl benzenesulfonamide hydrochloride in ethanol without separation, and celecoxib products can be obtained after recrystallization of the crude product. |
Use | Used as pesticide, pharmaceutical and dye intermediates Used as pharmaceutical intermediates and others. Pharmaceutical intermediates, mainly used in the production of Celicose |