4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯 基本信息
| 中文名称 | 4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯 |
|---|---|
| 中文同义词 | 4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯 |
| 英文名称 | 4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected |
| 英文同义词 | tert-Butyl 4-(4-methyl-5-sulphanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate;4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected;tert-butyl 4-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate;tert-Butyl 4-(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate;3-(1-Bocpiperidin-4-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione;1-Piperidinecarboxylic acid, 4-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-, 1,1-dimethylethyl ester;Tert-butyl 4-(5-mercapto-4-methyl-4h-1,2,4-triazol-3-yl)piperidine-1-carboxylate |
| CAS号 | 952183-40-3 |
| 分子式 | C13H22N4O2S |
| 分子量 | 298.4 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | Mol File |
| 结构式 |  |
4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯 性质
| 熔点 | 228-230 |
|---|---|
| 沸点 | 380.8±52.0 °C(Predicted) |
| 密度 | 1.29±0.1 g/cm3(Predicted) |
| 形态 | solid |
| 酸度系数(pKa) | 9.53±0.20(Predicted) |
| InChI | 1S/C13H22N4O2S/c1-13(2,3)19-12(18)17-7-5-9(6-8-17)10-14-15-11(20)16(10)4/h14H,5-8H2,1-4H3,(H,15,20) |
| InChIKey | VHHXOABXEVMTRV-UHFFFAOYSA-N |
安全信息
| 危险品标志 | Xi |
|---|---|
| WGK Germany | WGK 3 |
| 危险等级 | IRRITANT |
| 海关编码 | 2933399990 |
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 危害水生环境-急性危害 类别1 眼部刺激 类别2 经皮刺激 类别2 皮肤致敏物 类别1 |