CAS 205383-17-1 1,3,5-Triscarboxyphenylethynylbenzene

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Hydrogen Storage Materials

1,3,5-Triscarboxyphenylethynylbenzene

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Catalog Number

ACM205383171-2

Product Name

1,3,5-Triscarboxyphenylethynylbenzene

Structure

CAS

205383-17-1

Category

Hydrogen Storage Materials

Synonyms

4,4',4''-(1,3,5-benzenetriyltri-2,1-ethynediyl)trisbenzoicacid,4,4',4''-[benzene-1,3,5-triyl-tris(ethyne-2,1-diyl)]tribenzoicacid,BTE,H3BTE

Description

Expanded benzene tricarboxylate MOF linker used to synthesize MOFs with ultra high porosity; example MOF-180 and MOF-210. These MOFs show promising applications in gas adsorption; seperations; storage and more.

IUPAC Name

4-[2-[3,5-bis[2-(4-carboxyphenyl)ethynyl]phenyl]ethynyl]benzoic acid

Molecular Weight

510.49

Molecular Formula

C6H3(CO2H)3

Canonical SMILES

C1=CC(=CC=C1C#CC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

1S/C33H18O6/c34-31(35)28-13-7-22(8-14-28)1-4-25-19-26(5-2-23-9-15-29(16-10-23)32(36)37)21-27(20-25)6-3-24-11-17-30(18-12-24)33(38)39/h7-21H,(H,34,35)(H,36,37)(H,38,39)

InChI Key

NIJMZBWVSRWZFZ-UHFFFAOYSA-N

Melting Point

222-223 (decomposition)

Flash Point

Not applicable

Purity

≥95%

Appearance

powder

Storage

2-8°C