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  • 4,4',4″-s-Triazine-2,4,6-triyl-tribenzoic acid

  • 4,4',4″-s-Triazine-2,4,6-triyl-tribenzoic acid

    Catalog Number
    ACM61414162-2
    CAS Number
    61414-16-2
    Product Name
    4,4',4″-s-Triazine-2,4,6-triyl-tribenzoic acid
    Structure
    Category
    Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)
    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
    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.
    IUPAC Name
    4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic acid
    Molecular Weight
    441.39
    Molecular Formula
    C6H4-1,4-(CO2H)2
    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
    Covalently-Bonded Unit Count
    1
    Exact Mass
    441.096085g/mol
    Formal Charge
    0
    Heavy Atom Count
    33
    MDL Number
    MDLnumberMFCD04116314
    Monoisotopic Mass
    441.096085g/mol
    Rotatable Bond Count
    6
    XLogP3
    3.5
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