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767921

Sigma-Aldrich

1,3,5-Triscarboxyphenylethynylbenzene

greener alternative

≥95%

Synonym(s):

4,4′,4′′-(1,3,5-benzenetriyltri-2,1-ethynediyl)trisbenzoic acid, 4,4′,4′′-[benzene-1,3,5-triyl-tris(ethyne-2,1-diyl)]tribenzoic acid, BTE, H3BTE

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About This Item

Empirical Formula (Hill Notation):
C33H18O6
CAS Number:
205383-17-1
Molecular Weight:
510.49
MDL number:
MFCD17926334
UNSPSC Code:
26111700
PubChem Substance ID:
329767348
NACRES:
NA.23

Quality Level

100

Assay

≥95%

form

solid

greener alternative product characteristics

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

sustainability

Greener Alternative Product

mp

222-223 (decomposition)

greener alternative category

, Enabling

SMILES string

OC(=O)c1ccc(cc1)C#Cc2cc(cc(c2)C#Cc4ccc(cc4)C(=O)O)C#Cc3ccc(cc3)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

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

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS9611
MKCH5934
MKCB2751V
MKBR4537V
MKBM7472

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Hiroyasu Furukawa et al.
Science (New York, N.Y.), 329(5990), 424-428 (2010-07-03)
Crystalline solids with extended non-interpenetrating three-dimensional crystal structures were synthesized that support well-defined pores with internal diameters of up to 48 angstroms. The Zn4O(CO2)6 unit was joined with either one or two kinds of organic link, 4,4',4''-[benzene-1,3,5-triyl-tris(ethyne-2,1-diyl)]tribenzoate (BTE), 4,4',44''-[benzene-1,3,5-triyl-tris(benzene-4,1-diyl)]tribenzoate (BBC)
Kobayashi; N.; et al.
Journal of Materials Chemistry, 18, 1037-1037 (2008)
Nianyong Zhu et al.
Chemical communications (Cambridge, England), 48(30), 3638-3640 (2012-03-07)
Tri- and pentanuclear, kinetically stable SBUs were exploited for the preparation of the novel MOFs [Zn(3)(BTEB)(2)(DMF)(2)] and (Me(2)NH(2))[Zn(5)(BTEB)(3)(μ(3)-OH)(2)(DMF)(2)]. The applied synthetic approach results in topologies that are stabilised by tritopic benzene-trisethynylbenzoic acid (BTEB) linkers giving rise to chiral frameworks with

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