4,4-(1,2,4,5-TETRAZINE-3,6-DIYL)DIBENZOICACID
| 中文名称 | 4,4-(1,2,4,5-TETRAZINE-3,6-DIYL)DIBENZOICACID |
|---|---|
| 中文同义词 | 4,4'-(1,2,4,5-四嗪-3,6-二基)二苯甲酸 |
| 英文名称 | 4,4-(1,2,4,5-tetrazine-3,6-diyl)dibenzoic acid |
| 英文同义词 | 4,4-(1,2,4,5-tetrazine-3,6-diyl)dibenzoic acid;Benzoic acid, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-;DK7552;4,4'-(1,2,4,5-Tetrazine-3,6-diyl)dibenzoic acid;4,4'-(1,2,4,5-tetrazine-3,6-diyl)dibenzenemacetic acid |
| CAS号 | 753031-26-4 |
| 分子式 | C16H10N4O4 |
| 分子量 | 322.27 |
| EINECS号 | |
| 相关类别 | 氮杂环 |
| Mol文件 | 753031-26-4.mol |
| 结构式 |  |
4,4-(1,2,4,5-TETRAZINE-3,6-DIYL)DIBENZOICACID 性质
| 沸点 | 650.7±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.478±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 2.70±0.10(Predicted) |
| InChI | InChI=1S/C16H10N4O4/c21-15(22)11-5-1-9(2-6-11)13-17-19-14(20-18-13)10-3-7-12(8-4-10)16(23)24/h1-8H,(H,21,22)(H,23,24) |
| InChIKey | RYFVKTNONYVZPO-UHFFFAOYSA-N |
| SMILES | N1C(C2=CC=C(C=C2)C(O)=O)=NN=C(C2=CC=C(C=C2)C(O)=O)N=1 |
可作为配体用于合成MOF材料：ZrTz-68;HfTz-68;AlTz-53
[2] Tetrazine‐Based Metal‐Organic Frameworks as Scaffolds for Post‐Synthetic Modification by the Click Reaction. https://doi.org/10.1002/ejic.201901230
参考文献
[1] Rapid desolvation-triggered domino lattice rearrangement in a metal–organic framework. https://doi.org/10.1038/s41557-019-0364-0
[2] Tetrazine‐Based Metal‐Organic Frameworks as Scaffolds for Post‐Synthetic Modification by the Click Reaction. https://doi.org/10.1002/ejic.201901230