4,4',4″-s-Triazine-2,4,6-triyl-tribenzoic acid
Catalog Number
ACM61414162-2
CAS
61414-16-2
IUPAC Name
4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic acid
Synonyms
2,4,6-Tris(4-carboxyphenyl)-s-triazine,4,4',4″-[1,3,5]Triazine-2,4,6-triyl-tris-benzoicacid,p-Cyanobenzoicacidtrimer,H3TATB
Molecular Weight
441.39
Molecular Formula
C6H4-1,4-(CO2H)2
Product Information
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.
Canonical 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
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)
InChI Key
MSFXUHUYNSYIDR-UHFFFAOYSA-N
Melting Point
83-88 °C
Flash Point
Not applicable
Purity
95%
Appearance
powder
Storage
2-8°C
Complexity
602
Exact Mass
441.096085g/mol
Heavy Atom Count
33
MDL Number
MDLnumberMFCD04116314
Monoisotopic Mass
441.096085g/mol
Rotatable Bond Count
6
Solubility In Water
water: ~0.017 g/L at 25 °C
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