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

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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

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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

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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.

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N-Bromosuccinimide Price

Sigma-Aldrich

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

TCI Chemical

Product number: T2647
Product name: 1,3,5-Tris(4-carboxyphenyl)benzene
Purity: >98.0%(HPLC)
Packaging: 1g
Price: $137
Updated: 2025/07/31

TCI Chemical

Product number: T2647
Product name: 1,3,5-Tris(4-carboxyphenyl)benzene
Purity: >98.0%(HPLC)
Packaging: 5g
Price: $427
Updated: 2025/07/31

Strem Chemicals

Product number: 08-0635
Product name: 1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB
Packaging: 1g
Price: $106
Updated: 2024/03/01

Strem Chemicals

Product number: 08-0635
Product name: 1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB
Packaging: 5g
Price: $373
Updated: 2024/03/01

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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

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1,3,5-Tri(4-carboxyphenyl)benzene Suppliers

China 157 India 3 Japan 1 Switzerland 1 United States 7 Global 169

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View Lastest Price from 1,3,5-Tri(4-carboxyphenyl)benzene manufacturers

Henan Aochuang Chemical Co.,Ltd.

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

Shanghai UCHEM Inc.

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

Henan Fengda Chemical Co., Ltd

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

50446-44-1, 1,3,5-Tri(4-carboxyphenyl)benzeneRelated Search:

CARBOXYETHYLSILANETRIOL NA SALT 1,3,5-tris(4-pyridyl)benzene 1,3,5-Tris(4-aminophenyl)benzene 5'-(3,5-dicarboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylicacid 1,3,5-Tris(p-formylphenyl)benzene [p-Terphenyl]-4,4''-dicarboxylic acid 1,3,5-Triphenylbenzene 1,3,5-Tris(4-bromophenyl)benzene 1,1'-(5'-(4-acetylphenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diethanone 4,4''-Dimethyl-5'-(4-methylphenyl)-1,1':3',1''-terbenzene

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)

5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

Benzene-1,3,5-tribenzoic acid

Benzene-1,3,5-tris(4-benzoic acid)

Benzene-1,3,5-triyltris(4-benzoic acid)

Benzenetribenzoic acid

1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB

1,3,5-Tris(4-carboxyphenyl)benzene, 98%, for synthesis

[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)-

DK7249

1,3,5-Tri(4-carboxyphenyl)benzene - [T94287]

50446-44-1

Achiral Oxygen

MOFS COFS