H2MPTBDC
| 中文名称 | H2MPTBDC |
|---|---|
| 中文同义词 | H2MPTBDC;H2MPTBD;5-(3-甲基-5-(吡啶-4-基)-4H-1,2,4-三唑-4-基)间苯二甲酸;5-(3-甲基-5-(吡啶-4-基)-4H-1,2,4-三唑-4-烷基)间苯二甲酸 |
| 英文名称 | 1,3-Benzenedicarboxylic acid, 5-[3-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-4-yl]- |
| 英文同义词 | 1,3-Benzenedicarboxylic acid, 5-[3-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-4-yl]-;5-(3-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)isophthalic acid;5-(3-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)-1,3-benzenedicarboxylic acid |
| CAS号 | 1352638-29-9 |
| 分子式 | C16H12N4O4 |
| 分子量 | 324.29 |
| EINECS号 | |
| 相关类别 | 化学试剂;化工 |
| Mol文件 | 1352638-29-9.mol |
| 结构式 |  |
H2MPTBDC 性质
| 沸点 | 704.9±70.0 °C(Predicted) |
|---|---|
| 密度 | 1.48±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 3.18±0.10(Predicted) |
| InChI | InChI=1S/C16H12N4O4/c1-9-18-19-14(10-2-4-17-5-3-10)20(9)13-7-11(15(21)22)6-12(8-13)16(23)24/h2-8H,1H3,(H,21,22)(H,23,24) |
| InChIKey | DMUBKAYOHBMDJW-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=CC(N2C(C3C=CN=CC=3)=NN=C2C)=CC(C(O)=O)=C1 |
可作为配体用于合成MOF材料:JNU-3
[2] Pure and mixed gas adsorption of CH4 and N2 on the metal-organic framework Basolite A100 and a novel copper-based 1,2,4-triazolyl isophthalate MOF. https://doi.org/10.1039/c2jm15734a
参考文献
[1] A Microporous Copper Metal-Organic Framework with High H2 and CO2 Adsorption Capacity at Ambient Pressure. https://doi.org/10.1002/anie.201102329
[2] Pure and mixed gas adsorption of CH4 and N2 on the metal-organic framework Basolite A100 and a novel copper-based 1,2,4-triazolyl isophthalate MOF. https://doi.org/10.1039/c2jm15734a