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Merck

686859

Sigma-Aldrich

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

greener alternative

≥98%, ≤20 wt. % solvent

Sinônimo(s):

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

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1 G
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1 G
R$ 2.685,00

About This Item

Fórmula empírica (Notação de Hill):
C27H18O6
CAS Number:
Peso molecular:
438.43
Número MDL:
Código UNSPSC:
26111700
ID de substância PubChem:
NACRES:
NA.23

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Ensaio

≥98%

Formulário

solid

características do produto alternativo mais ecológico

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Impurezas

≤20 wt. % solvent

pf

322-327 °C

categoria alternativa mais ecológica

cadeia de caracteres 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)

chave InChI

SATWKVZGMWCXOJ-UHFFFAOYSA-N

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Este Item
706884741175767921
assay

≥98%

assay

95%

assay

95%

assay

≥95%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

mp

322-327 °C

mp

>300 °C

mp

83-88 °C

mp

222-223 (decomposition)

form

solid

form

powder

form

solid

form

solid

greener alternative product characteristics

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

greener alternative product characteristics

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

greener alternative product characteristics

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

greener alternative product characteristics

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

sustainability

Greener Alternative Product

sustainability

Greener Alternative Product

sustainability

Greener Alternative Product

sustainability

Greener Alternative Product

Descrição geral

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.

Aplicação

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]

Palavra indicadora

Danger

Frases de perigo

Classificações de perigo

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

Código de classe de armazenamento

4.1B - Flammable solid hazardous materials

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

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


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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

      Helpful?

  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. 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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  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.

      Helpful?

  6. 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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