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Sigma-Aldrich

1,3,5-Tris(4-carboxyphenyl)benzene

greener alternative

≥98%, ≤20 wt. % solvent

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Synonym(s):
4,4′,4′′,-Benzene-1,3,5-triyl-tris(benzoic acid), H3BTB
Empirical Formula (Hill Notation):
C27H18O6
CAS Number:
Molecular Weight:
438.43
MDL number:
PubChem Substance ID:
NACRES:
NA.23

Quality Level

Assay

≥98%

form

solid

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

impurities

≤20 wt. % solvent

mp

322-327 °C

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SMILES string

OC(=O)c1ccc(cc1)-c2cc(cc(c2)-c3ccc(cc3)C(O)=O)-c4ccc(cc4)C(O)=O

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

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This Item
706884741175767921
form

solid

form

powder

form

solid

form

solid

mp

322-327 °C

mp

>300 °C

mp

83-88 °C

mp

222-223 (decomposition)

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

impurities

≤20 wt. % solvent

impurities

-

impurities

-

impurities

-

General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for energy efficiency. Find details here.

Application

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.
1,3,5-Tris(4-carboxyphenyl)benzene (BTB) is a building block for Metal Organic Frameworks (MOFs). MOFs are 3D-microporous materials with potential applications in gas adsorption and separation technologies. BTB has been recently used as a linker to make MOFs with extremely high surface area such as MOF-177 (~ 5000 m2/g), a hydrogen absorbing material with an extremely high hydrogen storage capacity of 7.5% at 77K.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Two-dimensional 1, 3, 5-tris (4-carboxyphenyl) benzene self-assembly at the 1-phenyloctane/graphite interface revisited
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The Journal of Physical Chemistry C, 116(18), 10029-10032 (2012)
Chong Liu et al.
Faraday discussions, 201, 163-174 (2017-06-18)
Gradient MOFs contain directional gradients of either structure or functionality. We have successfully prepared two ternary gradient MOFs based on bMOF-100 analogues, namely bMOF-100/102/106 and bMOF-110/100/102, via cascade ligand exchange reactions. The cubic unit cell parameter discrepancy within an individual
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The two-dimensional (2D) metal-organic framework (MOF) [Cd2.25Co0.75(BTB)2(DEF)4]·2(DEF)0.5 (1a, BTB = benzene-1,3,5-tribenzolate; DEF = N,N'-diethylformamide) featuring linear trimetallic cluster secondary building units (SBUs) and replaceable DEF solvates reacts smoothly with dipyridyl ligands DPS, DPDS, and BIPY (DPS = 4,4'-dipyridyl sulfide; DPDS
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ChemPlusChem, 85(3), 503-509 (2020-03-19)
A cationic three-dimensional (3D) metal-organic framework (MOF) sustained by an N,N'-diethylformamide (DEF)-solvated zigzag-shaped Cd5 cluster secondary building unit (SBU), [Et2 NH2 ]2 [Cd5 (BTB)4 (DEF)2 ] ⋅ 4.75DEF (1 a, H3 BTB=benzene-1,3,5-tribenzoic acid) shows flexible framework behavior and undergoes solvate exchange with CHCl3

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Metal-Organic Frameworks in Sustainable Energy Technologies

Metal-organic frameworks, a subset of coordination polymers, represent a powerful new tool for a plethora of alternative energy applications. MOFs are readily available using simple synthetic strategies that supply tailored, high surface area materials.

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