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686859

Sigma-Aldrich

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

greener alternative

≥98%, ≤20 wt. % solvent

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

greener alternative category

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

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.

Packaging

1 g in glass bottle

Linkage

Sigma-Aldrich offers a variety of molecules that can serve as linkers for Metal Organic Frame Works. To see our current offerings in the area of Materials for Hydrogen Storage Applications, visit www.sigma-aldrich.com/hydrogen.

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

Certificate of Analysis

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Certificate of Origin

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