1,3,5-Tri(4-carboxyphenyl)benzene
- Product Name
- 1,3,5-Tri(4-carboxyphenyl)benzene
- CAS No.
- 50446-44-1
- Chemical Name
- 1,3,5-Tri(4-carboxyphenyl)benzene
- Synonyms
- H3BTB;1,3,5-Tris(4-carboxyphenyl)benzene;DK7249;Benzenetribenzoic acid;Benzene-1,3,5-tribenzoic acid;1,3,5-Tri(4-carboxyphenyl)benzene;Benzene-1,3,5-tris(4-benzoic acid);1,4-Di-(4-carboxyphenyl)-naphthalene;Benzene-1,3,5-triyltris(4-benzoic acid);4',4'',4'''-Benzene-1,3,5-tribenzoic acid
- CBNumber
- CB41454981
- Molecular Formula
- C27H18O6
- Formula Weight
- 438.43
- MOL File
- 50446-44-1.mol
1,3,5-Tri(4-carboxyphenyl)benzene Property
- 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
Safety
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H228Flammable solid
H315Causes skin irritation
H319Causes serious eye irritation
H410Very toxic to aquatic life with long lasting effects
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273Avoid release to the environment.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 686859
- Product name
- 1,3,5-Tris(4-carboxyphenyl)benzene
- Purity
- ≥98%, ≤20 wt. % solvent
- Packaging
- 1g
- Price
- $381
- Updated
- 2025/07/31
- Product number
- T2647
- Product name
- 1,3,5-Tris(4-carboxyphenyl)benzene
- Purity
- >98.0%(HPLC)
- Packaging
- 1g
- Price
- $137
- Updated
- 2025/07/31
- Product number
- T2647
- Product name
- 1,3,5-Tris(4-carboxyphenyl)benzene
- Purity
- >98.0%(HPLC)
- Packaging
- 5g
- Price
- $427
- Updated
- 2025/07/31
- Product number
- 08-0635
- Product name
- 1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB
- Packaging
- 1g
- Price
- $106
- Updated
- 2024/03/01
- Product number
- 08-0635
- Product name
- 1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB
- Packaging
- 5g
- Price
- $373
- Updated
- 2024/03/01
1,3,5-Tri(4-carboxyphenyl)benzene Chemical Properties,Usage,Production
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
50446-43-0
50446-44-1
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
Raw materials
Preparation Products
1,3,5-Tri(4-carboxyphenyl)benzene Suppliers
- Tel
- 03-36680489
- Fax
- 03-3668-0520
- Sales-JP@TCIchemicals.com
- Country
- Japan
- ProdList
- 28387
- Advantage
- 80
View Lastest Price from 1,3,5-Tri(4-carboxyphenyl)benzene manufacturers
- Product
- 1,3,5-Tri(4-carboxyphenyl)benzene 50446-44-1
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-09-30
- Product
- 1,3,5-Tris(4-carboxyphenyl)benzene 50446-44-1
- Price
- US $59.30-222.30/g
- Min. Order
- 1g
- Purity
- 0.98
- Supply Ability
- 25kg
- Release date
- 2023-10-12
- Product
- 1,3,5-Tri(4-carboxyphenyl)benzene 50446-44-1
- Price
- US $36.00-1.60/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-03-25