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  • 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

  • 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

    Catalog Number
    ACMA00003182
    Product Name
    1,2,4,5-Tetrakis(4-carboxyphenyl)benzene
    Category
    Hydrogen Storage Materials
    Synonyms
    4,4',4'',4'''-benzene-1,2,4,5-tetrayltetrabenzoicacid,H4TCPB
    Description
    1,2,4,5-Tetrakis(4-carboxyphenyl)benzene (H4TCPB) is an organic linker with a molecular structure that has four carboxyl phenyl groups that are symmetrically attached to the central benzene core. It can be synthesized by using a Suzuki coupling reaction.
    IUPAC Name
    4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid
    Molecular Weight
    558.53
    Molecular Formula
    C6H4-1,4-(CO2H)2
    Canonical SMILES
    C1=CC(=CC=C1C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C(=O)O
    InChI
    1S/C34H22O8/c35-31(36)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(39)40)30(22-7-15-26(16-8-22)34(41)42)18-28(27)20-3-11-24(12-4-20)32(37)38/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
    InChI Key
    SRTQKANXPMBQCX-UHFFFAOYSA-N
    Melting Point
    324-331 °C
    Flash Point
    85 °C - closed cup
    Purity
    ≥98%
    Appearance
    powder
    Storage
    2-8°C
    Complexity
    808
    Covalently-Bonded Unit Count
    1
    Exact Mass
    558.131468g/mol
    Formal Charge
    0
    Heavy Atom Count
    42
    MDL Number
    MDLnumberMFCD16621436
    Monoisotopic Mass
    558.131468g/mol
    Rotatable Bond Count
    8
    XLogP3
    6.5
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