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    Technical details about CAS 628-21-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 628-21-7

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    2D Structure
    1. Also known as: 628-21-7, Tetramethylene iodide, Butane, 1,4-diiodo-, Tetramethylene diiodide, 1,4-diodobutane, 1,4-diiodo-butane
    Molecular Formula
    C4H8I2
    Molecular Weight
    309.92  g/mol
    InChI Key
    ROUYUBHVBIKMQO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4-diiodobutane
    2.1.2 InChI
    InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
    2.1.3 InChI Key
    ROUYUBHVBIKMQO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCI)CI
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 628-21-7

    2. Tetramethylene Iodide

    3. Butane, 1,4-diiodo-

    4. Tetramethylene Diiodide

    5. 1,4-diodobutane

    6. 1,4-diiodo-butane

    7. A,?-diiodobutane

    8. Mfcd00001099

    9. Einecs 211-032-1

    10. Nsc 31721

    11. Brn 1098276

    12. 1,4 Diiodobutane

    13. Butane,4-diiodo-

    14. 1,4-bis(iodanyl)butane

    15. 4-01-00-00276 (beilstein Handbook Reference)

    16. Schembl243638

    17. Dtxsid5060851

    18. Nsc31721

    19. Zinc6827713

    20. 1,4-diiodobutane Stabilized Over Cu

    21. Ac1274

    22. Nsc-31721

    23. Akos005146540

    24. Cs-w004871

    25. Ds-5743

    26. Sy037746

    27. D1701

    28. Ft-0653471

    29. A834019

    30. J-802015

    31. 1,4-diiodobutane, >=99%, Contains Copper As Stabilizer

    32. F0001-1692

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 309.92 g/mol
    Molecular Formula C4H8I2
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count3
    Exact Mass309.87155 g/mol
    Monoisotopic Mass309.87155 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity17.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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