ChemicalBook > CAS DataBase List > 1,3,5-Tri(4-carboxyphenyl)benzene

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