686859

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

≥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: 50446-44-1
• Molecular Weight: 438.43
• MDL number: MFCD10000888
• UNSPSC Code: 26111700
• PubChem Substance ID: 329761077
• NACRES: NA.23

Properties

• Quality Level: 100
• Assay: ≥98%
• form: solid
• greener alternative product characteristics: Design for Energy Efficiency; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• impurities: ≤20 wt. % solvent
• mp: 322-327 °C
• greener alternative category: Enabling,
• 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

Description

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.

Safety Information

• Pictograms: GHS02,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H228,H315,H319,H410
• Precautionary Statements: P210 - P240 - P241 - P273 - P302 + P352 - P305 + P351 + P338
• 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