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    • Quinolinic Acid

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    Catalog Number
    ACM89009
    CAS Number
    89-00-9
    Product Name
    Quinolinic Acid
    Structure
    Category
    Monomers
    Synonyms
    Pyridin-2,3-dicarbonsaeure
    Description
    DryPowder;Solid
    IUPAC Name
    Pyridine-2,3-dicarboxylic acid
    Molecular Weight
    167.12
    Molecular Formula
    C7H5NO4
    Canonical SMILES
    C1=CC(=C(N=C1)C(=O)O)C(=O)O
    InChI
    InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
    InChI Key
    GJAWHXHKYYXBSV-UHFFFAOYSA-N
    Boiling Point
    295.67 °C
    Melting Point
    188-190 °C(lit.)
    Flash Point
    210.9 °C
    Purity
    98%
    Density
    1.5216 g/cm³
    Solubility
    Slightly soluble in trifluoroacetic acid, insoluble in ethanol
    Appearance
    Crystalline powder
    Storage
    Keep in dark place, sealed in dry, room temperature
    Color/Form
    Crystals;Monoclinic crystals from water
    Complexity
    204
    Covalently-Bonded Unit Count
    1
    EC Number
    201-874-8
    Exact Mass
    167.02185764
    Formal Charge
    0
    Hazard Statements
    Xi
    Heavy Atom Count
    12
    Log P
    log Kow = -0.12 (est)
    MeSH Entry Terms
    Quinolinate;Quinolinic Acid;Quinolinic Acid, Copper(2+) Salt;Quinolinic Acid, Disodium Salt;Quinolinic Acid, Strontium Salt
    Monoisotopic Mass
    167.02185764
    NSC Number
    403247;18836;13127
    Odor
    Odorless
    Other Experimental
    190 °C when rapidly heated, with decomposition into CO2 and nicotinic acid;Henry's Law constant = 2.86X10-15 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.08X10-12 cu cm/molec-sec at 25 °C (est)
    Refractive Index
    1.628
    Rotatable Bond Count
    2
    Safety Description
    26-36/37-24/25-37
    Supplemental Hazard Statements
    H315-H319-H335
    Topological Polar Surface Area
    87.5 Ų
    UNII
    F6F0HK1URN
    Vapor Pressure
    6.1X10-6 mm Hg at 25 °C (est)
    XLogP3
    0.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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