Rofecoxib
Catalog No: FT-0631192
CAS No: 162011-90-7
- Molecular Formula: 314.4
- Formula Weight: C17H14O4S
- Inchl Key: RZJQGNCSTQAWON-UHFFFAOYSA-N
- Inchl: InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS07 |
|---|---|
| CAS: | 162011-90-7 |
| Flash_Point: | 303.1±30.1 °C |
| Product_Name: | Rofecoxib |
| Bolling_Point: | 577.6±50.0 °C at 760 mmHg |
| FW: | 314.356 |
| Melting_Point: | 207°C |
| MF: | C17H14O4S |
| Density: | 1.3±0.1 g/cm3 |
| Refractive_Index: | 1.619 |
|---|---|
| Vapor_Pressure: | 0.0±1.6 mmHg at 25°C |
| Flash_Point: | 303.1±30.1 °C |
| LogP: | 1.34 |
| Bolling_Point: | 577.6±50.0 °C at 760 mmHg |
| FW: | 314.356 |
| PSA: | 68.82000 |
| Computational_Chemistry: | ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 688 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :556 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 207°C |
| MF: | C17H14O4S |
| Exact_Mass: | 314.061279 |
| Molecular_Structure: | ['1 . Molar refractive index 8269 ', '2 . Molar volume 2356 ', '3 . Parachor （902K）6318 ', '4 . Surface tension 516 ', '5 . Polarizability 3278'] |
| Density: | 1.3±0.1 g/cm3 |
| Symbol: | GHS07 |
|---|---|
| WGK_Germany: | 2 |
| RTECS: | LU5135000 |
| RIDADR: | NONH for all modes of transport |
| Safety_Statements: | H302 |
| HS_Code: | 29309070 |
