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| | 1,3,5-Tri(4-carboxyphenyl)benzene Basic information |
| Product Name: | 1,3,5-Tri(4-carboxyphenyl)benzene | | Synonyms: | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid;1,3,5-Tri(4-carboxyphenyl)benzene;1,3,5-Tris(4-carboxyphenyl)benzene >=98%, <=20 wt. % solvent;H3BTB;4',4'',4'''-Benzene-1,3,5-tribenzoic acid;1,4-Di-(4-carboxyphenyl)-naphthalene;1,3,5-Tris(4-carboxyphenyl)benzene;4,4μ,4μμ,-Benzene-1,3,5-triyl-tris(benzoic acid) | | CAS: | 50446-44-1 | | MF: | C27H18O6 | | MW: | 438.43 | | EINECS: | | | Product Categories: | Achiral Oxygen;MOFS COFS | | Mol File: | 50446-44-1.mol |  |
| | 1,3,5-Tri(4-carboxyphenyl)benzene Chemical Properties |
| Melting point | 322-327 °C | | Boiling point | 711.0±60.0 °C(Predicted) | | density | 1.357±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Soluble in tetrahydrofuran. | | form | solid | | pka | 3.46±0.10(Predicted) | | color | white to yellow | | 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) | | InChIKey | SATWKVZGMWCXOJ-UHFFFAOYSA-N | | SMILES | C1(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C3=CC=C(C(O)=O)C=C3)=C2)=CC=C(C(O)=O)C=C1 |
| Hazard Codes | F,Xn,N,Xi | | Risk Statements | 10-48/20-50/53-63-65-67-36/38 | | Safety Statements | 36/37-60-61-62-26 | | RIDADR | UN 3175 4.1/PG 2 | | WGK Germany | 3 | | HazardClass | 9 | | HS Code | 29173990 | | Storage Class | 4.1B - Flammable solid hazardous materials | | Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Flam. Sol. 1
Skin Irrit. 2 |
| | 1,3,5-Tri(4-carboxyphenyl)benzene Usage And Synthesis |
| Chemical Properties | White solid | | Uses | 1,3,5-Tri(4-carboxyphenyl)benzene is used as a building block for metal organic frameworks, which is a 3D-microporous material and finds applications in gas adsorption and separation technologies. | | General 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 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. | | Synthesis | 3.485 g (0.01 mol) of 1,3,5-tris(4-methylphenyl)benzene was added to 0.0029 g (1 mol%) of cobalt nitrate, 0.005482 g (1 eq.) of ammonium ceric nitrate, 0.0106 g (0.1 eq.) of sodium carbonate as an additive, 0.04 mol of 30% hydrogen peroxide, 5 mL of dimethyl succinate as a solvent, and 7.971 mg (0.1 equiv) of indole ligand in a dry clean pressure resistant tube. The reaction mixture was heated to 110 °C and reacted at 2.0 MPa (gauge pressure) for 6 hours. Upon completion of the reaction, the heating was stopped and the reaction system was extracted three times with ethyl acetate. The organic phases were combined and concentrated under reduced pressure to remove the solvent, and the resulting crude product was purified by column chromatography to give 4.2469 g of 1,3,5-tris(4-carboxyphenyl)benzene in 97% yield. | | References | [1] Patent: CN108218685, 2018, A. Location in patent: Paragraph 0028; 0030; 0031; 0032
[2] Patent: CN107759460, 2018, A. Location in patent: Paragraph 0071-0093
[3] Patent: CN108484380, 2018, A. Location in patent: Paragraph 0031; 0033; 0035; 0037; 0038; 0039
[4] Journal fuer Praktische Chemie (Leipzig), 1890, vol. <2> 41, p. 414
[5] Journal fuer Praktische Chemie (Leipzig), 1893, vol. <2> 47, p. 420 |
| | 1,3,5-Tri(4-carboxyphenyl)benzene Preparation Products And Raw materials |
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