| 中文别名 | N-De(4-sulfonamidophenyl)-N’-(4-sulfonamidophenyl) Celecoxib(cas:331943-04-5) |
| CAS号 | 331943-04-5 |
| SMILES | O=S(=O)(c3ccc(n1nc(cc1C(F)(F)F)c2ccc(cc2)C)cc3)N |
| Inchi | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
| InchiKey | LGIMTMFJBCXYRP-UHFFFAOYSA-N |
| 分子式 Formula | C17H14F3N3O2S |
| 分子量 Molecular Weight | 381.37 |
| 闪点 FP | 273.7±32.9 ℃ |
| 熔点 Melting point | 182 - 187℃ |
| 沸点 Boiling point | 529.0±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 36.4±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |