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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

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About This Item

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

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

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

H228,H315,H319,H410

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

686859-BULK:
686859-1G:4548173287560
686859-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN1285
SHBG6824V
SHBC9184V
SHBB4003V
SHBB4003

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Sigma-Aldrich

382132

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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
Meng-Yao Chao et al.
Dalton transactions (Cambridge, England : 2003), 47(38), 13722-13729 (2018-09-15)
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
Ram R R Prasad et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 24(57), 15309-15318 (2018-07-07)
Post-synthetic modification of the hafnium metal-organic framework MOF-808(Hf) to include triarylphosphine ligands is reported. Sulfonated phenylphosphines are incorporated without oxidation to give a "MOF ligand" that can complex late transition metals such as Ir and Rh to give a bifunctional
Alejandro Cabrera-García et al.
Journal of colloid and interface science, 541, 163-174 (2019-01-28)
MIL-100(Fe) and MIL-101(Fe) metal-organic frameworks (MOFs) are excellent vehicles for drug delivery systems (DDSs) due to their high biocompatibility and stability in physiological fluids, as well as their pore diameter in the mesoporous range. Although they are appropriate for the
Seung Bin Baek et al.
Proceedings of the National Academy of Sciences of the United States of America, 112(46), 14156-14161 (2015-11-19)
Crystallographic observation of adsorbed gas molecules is a highly difficult task due to their rapid motion. Here, we report the in situ single-crystal and synchrotron powder X-ray observations of reversible CO2 sorption processes in an apparently nonporous organic crystal under

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