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  • 4,4'-Stilbenedicarboxylic acid

  • 4,4'-Stilbenedicarboxylic acid

    Catalog Number
    ACM100312-1
    CAS Number
    100-31-2
    Product Name
    4,4'-Stilbenedicarboxylic acid
    Structure
    Category
    Hydrogen Storage Materials; Monomers
    Synonyms
    4,4'-(1,2-Ethenediyl)bisbenzoicacid,4,4'-Dicarboxystilbene,Biphenylethene-4,4·-dicarboxylicacid,H2BPEA,H2SDC
    Description
    4,4'-Stilbenedicarboxylic acid (SDA) is a luminescent ligand that is useful as an organic linker due to the presence of two carboxylic groups, which form bridges between metallic centers. It has conjugated aromatic rings that facilitate the formation of a rigid linker. SDA can be used in the hydrothermal synthesis of three-dimensional (3D) metal-organic frameworks, which have potential usage in sensing, drug delivery, luminescence, and gas adsorption. It may also be used in energy storage applications such as supercapacitors and batteries.
    IUPAC Name
    4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid
    Molecular Weight
    268.26
    Molecular Formula
    C10H6(CO2H)2
    Canonical SMILES
    C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
    InChI
    1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1+
    InChI Key
    SBBQDUFLZGOASY-OWOJBTEDSA-N
    Boiling Point
    518.5±39.0 °C(Predicted)
    Melting Point
    400-420 °C
    Flash Point
    Not applicable
    Purity
    98%
    Density
    1.356±0.06 g/cm3(Predicted)
    Appearance
    powder
    Storage
    2-8°C
    Complexity
    336
    Covalently-Bonded Unit Count
    1
    EC Number
    202-838-4
    Exact Mass
    268.073559g/mol
    Formal Charge
    0
    Heavy Atom Count
    20
    MDL Number
    MDLnumberMFCD00013994
    MeSH Entry Terms
    4,4'-stilbenedicarboxylic acid
    Monoisotopic Mass
    268.073559g/mol
    NSC Number
    40932
    Rotatable Bond Count
    4
    XLogP3
    3.2
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