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安全信息

686859

Sigma-Aldrich

1,3,5-三(4-羧基苯基)苯

greener alternative

≥98%, ≤20 wt. % solvent

别名:

4,4′,4′′-苯-1,3,5-三基-三(苯甲酸), H3BTB

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About This Item

经验公式（希尔记法）:
C27H18O6
CAS号:
50446-44-1
分子量:
438.43
MDL编号:
MFCD10000888
UNSPSC代码:
26111700
PubChem化学物质编号:
329761077
NACRES:
NA.23

质量水平

100

方案

≥98%

表单

solid

环保替代产品特性

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

sustainability

Greener Alternative Product

杂质

≤20 wt. % solvent

mp

322-327 °C

环保替代产品分类

Enabling,

SMILES字符串

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

相关类别

一般描述

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应用

1,3,5-三(4-羧基苯基)苯 (BTB) 可作为金属有机框架 (MOF) 的结构单元。MOF 为三维微孔材料，具有气体吸附和分离技术领域的应用前景。BTB 新近用作构造具有极大表面积的 MOF 的键接，如 MOF-177（约 5000m2/g），它是一种氢吸附材料，77K 下储氢容量高达 7.5%。
1,3,5-三(4-羧基苯基)苯(H3BTB)是一种星形二维分子，可通过各种底物形成自组装单层膜(SAM) 。它可用作三配位(tritopic)桥联配体，促进多金属氧酸盐类金属有机框架(MOF)的官能化，以用于气体储存、气体分离和催化。

警示用语：

Danger

危险分类

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

储存分类代码

4.1B - Flammable solid hazardous materials

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

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

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBN1285
SHBG6824V
SHBC9184V
SHBB4003V
SHBB4003

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. How do I find price and availability?

    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

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

    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. 

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

    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.

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

    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.

  7. My question is not addressed here, how can I contact Technical Service for assistance?

    Ask a Scientist here.

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
Dong BX, et al.
Dalton Transactions, 44(3), 1435-1440 (2015)
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
Two-dimensional 1, 3, 5-tris (4-carboxyphenyl) benzene self-assembly at the 1-phenyloctane/graphite interface revisited
Silly F
The Journal of Physical Chemistry C, 116(18), 10029-10032 (2012)
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
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