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  • 3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt

  • 3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt

    Catalog Number
    ACM79551147-2
    CAS Number
    79551-14-7
    Product Name
    3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt
    Structure
    Category
    Salt
    IUPAC Name
    disodium;5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate
    Molecular Weight
    494.4g/mol
    Molecular Formula
    C16H8N4Na2O8S2
    Canonical SMILES
    C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].[Na+].[Na+]
    InChI
    InChI=1S/C16H10N4O8S2.2Na/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
    InChI Key
    IVLSEFOVPQFJBB-UHFFFAOYSA-L
    Application
    3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt serves as an effective chromogenic agent specifically designed for the colorimetric detection of iron. It is recognized as a ferroin-type reagent with superior properties, including enhanced water solubility and stability within a pH range of 4 to 9, making it ideal for the formation of a tris complex with ferrous ions. Not only is it employed in the quantification of non-transferrin-bound iron in studies, but it also measures chelating activity on ferrous ions. Additionally, this compound is highly effective for trace metal detection, including identifying Cyanide at 382 nm, Palladium at 432 nm, Ruthenium at 520 nm, and facilitating the indirect detection of Chromium at 593 nm. This reagent is particularly valuable in clinical laboratory settings for serum iron determination using colorimetric methods, which are preferred due to their accessibility and cost-effectiveness, contrasting with the limited application of atomic absorption and electrochemical methods that, though rapid and requiring minimal sample volume, necessitate specialized and costly instruments.
    Complexity
    787
    Covalently-Bonded Unit Count
    3
    Exact Mass
    493.957894g/mol
    Formal Charge
    0
    Heavy Atom Count
    32
    MeSH Entry Terms
    3-(2-pyridyl)-5,6-bis(2-(furylsulfonic acid))-1,2,4-triazine;ferene;Ferene-S
    Monoisotopic Mass
    493.957894g/mol
    Rotatable Bond Count
    3
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