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686859

Sigma-Aldrich

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

greener alternative

≥98%, ≤20 wt. % solvent

Synonim(y):

4,4′,4′′,-Benzene-1,3,5-triyl-tris(benzoic acid), H3BTB

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1 G
1760,00 zł

1760,00 zł

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1 G
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About This Item

Wzór empiryczny (zapis Hilla):
C27H18O6
Numer CAS:
50446-44-1
Masa cząsteczkowa:
438.43
Numer MDL:
MFCD10000888
Kod UNSPSC:
26111700
Identyfikator substancji w PubChem:
329761077
NACRES:
NA.23

1760,00 zł

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Poziom jakości

100

Próba

≥98%

Formularz

solid

charakterystyka ekologicznej alternatywy

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

sustainability

Greener Alternative Product

zanieczyszczenia

≤20 wt. % solvent

mp

322-327 °C

kategoria ekologicznej alternatywy

Enabling,

ciąg SMILES

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)

Klucz InChI

SATWKVZGMWCXOJ-UHFFFAOYSA-N

Powiązane kategorie

Opis ogólny

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.

Zastosowanie

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.
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][2]
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Hasło ostrzegawcze

Danger

Zwroty wskazujące rodzaj zagrożenia

H228,H315,H319,H410

Zwroty wskazujące środki ostrożności

P210 - P240 - P241 - P273 - P302 + P352 - P305 + P351 + P338

Klasyfikacja zagrożeń

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2

Kod klasy składowania

4.1B - Flammable solid hazardous materials

Klasa zagrożenia wodnego (WGK)

WGK 3

Temperatura zapłonu (°F)

Not applicable

Temperatura zapłonu (°C)

Not applicable

Środki ochrony indywidualnej

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Wybierz jedną z najnowszych wersji:

Certyfikaty analizy (CoA)

Lot/Batch Number
SHBN1285
SHBG6824V
SHBC9184V
SHBB4003V
SHBB4003

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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
Two-dimensional 1, 3, 5-tris (4-carboxyphenyl) benzene self-assembly at the 1-phenyloctane/graphite interface revisited
Silly F
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The first tritopic bridging ligand 1, 3, 5-tris (4-carboxyphenyl)-benzene (H 3 BTB) functionalized porous polyoxometalate-based metal-organic framework (POMOF): from design, synthesis to electrocatalytic properties
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Dalton Transactions, 44(3), 1435-1440 (2015)
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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
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
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Produkty

Metal-Organic Frameworks in Energy

Metal-organic frameworks offer high surface area materials for alternative energy applications through simple synthetic strategies.

Questions

1–6 of 6 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

      Helpful?

  3. Which alternative ligand can be used for the synthesis of Zn-MOF-177, which has the same characteristics as 1,3,5Tris(4-carboxyphenyl) benzene?

    1 answer

    1. An alternative for 1,3,5-Tris(4-carboxyphenyl)benzene for the synthesis of Zn-MOF-177 is a process that will need to be validated by the end-user. It may be helpful to review the peer-reviewed articles:

      https://www.sigmaaldrich.com/search/686859?focus=papers&page=1&perpage=30&sort=relevance&term=686859&type=citation_search

      Helpful?

  4. What residual solvents are present in Product 686859, Benzoic acid?

    1 answer

    1. Possible residual solvents present in this material are dimethyl sulfoxide and acetic acid. Both impurities are quantified on a batch-to-batch basis and the levels reported on the certificate of analysis.

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  5. What is the Department of Transportation shipping information for this product?

    1 answer

    1. Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product.

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  6. Is a protocol available for using Product 686859, Benzoic acid, to produce Metal Organic Frameworks (MOFs) with high surface area?

    1 answer

    1. Unfortunately, Sigma-Aldrich does not manufacture MOFs and do not have a protocol for using this material for a similar application. However, a synthesis method for preparing MOF-177 (a MOF with high surface area) can be obtained from the following reference: Chae, H. K.; Siberio-Perez, D. Y.; Kim, J.; Go, Y.-B.; Eddaoudi, M.; Matzger, A. J.; O’Keeffe, M.; Yaghi, O. M. Nature 2004, 427, 523-527. In addition to product #686859, Zinc (II) nitrate hexahydrate (e.g. product #96482) and N,N-Diethylformamide (e.g. product #186317) would be required to prepare the MOF in this reference.

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