Skip to the beginning of the images gallery

2,4,6-Tris(4-carboxyphenyl)-1,3,5-triazine - 97%, high purity , CAS No.61414-16-2

COA

Grade & Purity:

≥97%

Cas Number: 61414-16-2
Molecular Weight: 441.39
PubChem CID: 5014714
PubChem SID: 488195059

In stock

Item Number

B300391

Grouped product items
SKU	Size	Availability	Price
B300391-250mg	250mg	8	$14.90
B300391-1g	1g	8	$39.90
B300391-5g	5g	3	$145.90

View related series

Fuel cell membranes & materials (5)

Basic Description

Synonyms	2,4,6-Tris(4-carboxyphenyl)-1,3,5-triazine \| 4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic Acid \| 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid \| MFCD04116314 \| 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoicacid
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4,4′,4′′-s-Triazine-2,4,6-triyl-tribenzoic acid (H3TATB) is an electron acceptor that can be used in the synthesis of an electrochromic material (ECM). ECM can be used for a variety of applications such as electronic paper, smart windows, and energy storage devices.It can also be used in the formation of a metal-organic framework (MOF) for potential usage in CO2 adsorption.It can be used in the preparation of PCN-333(Al) based MOFs for the fabrication of an electrochemical biosensor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives 1,3,5-triazines Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Triazine - 1,3,5-triazine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488195059
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195059
IUPAC Name	4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic acid
INCHI	InChI=1S/C24H15N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChIKey	MSFXUHUYNSYIDR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O
Molecular Weight	441.39
Reaxy-Rn	590918
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=590918&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot Number	Certificate Type	Date	Item
F2517214	Certificate of Analysis	Apr 09, 2025	B300391
F2517234	Certificate of Analysis	Apr 09, 2025	B300391
F2517275	Certificate of Analysis	Apr 09, 2025	B300391
D2511370	Certificate of Analysis	Mar 17, 2025	B300391
D2511376	Certificate of Analysis	Mar 17, 2025	B300391
D2511387	Certificate of Analysis	Mar 17, 2025	B300391
B2507218	Certificate of Analysis	Jan 21, 2025	B300391
B2507220	Certificate of Analysis	Jan 21, 2025	B300391
B2507221	Certificate of Analysis	Jan 21, 2025	B300391
I2320437	Certificate of Analysis	Sep 28, 2023	B300391
I2320375	Certificate of Analysis	Sep 26, 2023	B300391
E2305225	Certificate of Analysis	May 12, 2023	B300391
E2305243	Certificate of Analysis	May 12, 2023	B300391
E2305235	Certificate of Analysis	May 11, 2023	B300391
E2305237	Certificate of Analysis	May 11, 2023	B300391
E2305258	Certificate of Analysis	May 11, 2023	B300391
L2320276	Certificate of Analysis	May 11, 2023	B300391

Show more⌵

Chemical and Physical Properties

Solubility	Aqueous Base (Slightly), DMSO (Slightly, Heated)
Melt Point(°C)	83-88 °C
Molecular Weight	441.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	441.096 Da
Monoisotopic Mass	441.096 Da
Topological Polar Surface Area	151.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	602.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration