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| IUPAC Name: | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
| Description: | 1,3,5-Tris(4-carboxyphenyl)benzene (H3BTB) is a star-shaped two-dimensional molecule that forms a self-assembled monolayer (SAM) on a variety of substrates. It is a building block for Metal Organic Frameworks (MOFs). It can be used as a tritopic bridging ligand that facilitates the functionalization of polyoxometalate-based metal organic frameworks (MOFs) for potential usage in gas storage, gas separation, and catalysis. |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C27H18O6 |
| Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O |
| InChI: | InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33) |
| InChI Key: | SATWKVZGMWCXOJ-UHFFFAOYSA-N |
| Boiling Point: | 711.0±60.0 ℃ (Predicted) |
| Melting Point: | 325 ℃ |
| Purity: | > 98.0 % (HPLC) |
| Density: | Hygroscopic |
| Appearance: | White to almost white powder to crystal |
| Storage: | Store under inert gas |
| MDL: | MFCD10000888 |
| LogP: | 5.78220 |
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