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  • 2,3-Pyrazinedicarboxylic Acid

  • 2,3-Pyrazinedicarboxylic Acid

    Catalog Number
    ACM89010
    CAS Number
    89-01-0
    Product Name
    2,3-Pyrazinedicarboxylic Acid
    Structure
    Category
    Metal Organic Frameworks (MOFs); Monomers
    Synonyms
    3-Pyrazinedicarboxylic acid
    IUPAC Name
    Pyrazine-2,3-dicarboxylic acid
    Molecular Weight
    168.11
    Molecular Formula
    C6H4N2O4
    Canonical SMILES
    C1=CN=C(C(=N1)C(=O)O)C(=O)O
    InChI
    InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
    InChI Key
    ZUCRGHABDDWQPY-UHFFFAOYSA-N
    Boiling Point
    297.01 °C
    Melting Point
    188 °C
    Purity
    95%+
    Density
    1.6328 g/mL at 25 °C(lit.)
    Appearance
    White to Almost white powder to crystal
    Application
    2,3-Pyrazinedicarboxylic Acid serves multiple purposes, primarily recognized for its antifungal and antibacterial properties. It plays a crucial role as a reagent in the synthesis of transition metal pyrazinedicarboxylate complexes. The compound's anionic form has garnered significant interest in both coordination and supra-molecular chemistry due to its tendency to react with metal salts, producing insoluble polynuclear materials. This property extends its applications to crystal engineering, particularly in forming complexes with creatinine and 2-amino-4-hydroxy-6-methylpyrimidine. As a dicarboxylate ligand, 2,3-Pyrazinedicarboxylic Acid can link neighboring metal atoms to create one-dimensional chains in various complexes. Additionally, it demonstrates versatility by coordinating with neodymium(III) atoms in multiple bonding modes. When combined with neodymium nitrate, it facilitates the synthesis of coordination polymers with intricate three-dimensional frameworks through hydrothermal methods.
    Storage
    Store under inert gas
    Complexity
    184
    Covalently-Bonded Unit Count
    1
    EC Number
    201-875-3
    Exact Mass
    168.01710661
    Formal Charge
    0
    Hazard Statements
    H315 : Causes skin irritation.H319 : Causes serious eye irritation.
    Heavy Atom Count
    12
    MDL Number
    MFCD00006131
    MeSH Entry Terms
    2,3-pyrazinedicarboxylic acid
    Monoisotopic Mass
    168.01710661
    NSC Number
    1908
    Precautionary Statements
    P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
    Refractive Index
    n20/D 1.4738(lit.)
    Rotatable Bond Count
    2
    Signal Word
    Warning
    Specific Gravity
    1.16
    Storage Conditions
    Dry place,Room Temperature
    Topological Polar Surface Area
    100 Ų
    UNII
    QNN35WOF29
    XLogP3
    -0.7
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