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    Technical details about CAS 513-48-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 513-48-4

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    2D Structure
    1. Also known as: Sec-butyl iodide, 513-48-4, 2-butyl iodide, Butane, 2-iodo-, Sec-iodobutane, 2-jodbutan
    Molecular Formula
    C4H9I
    Molecular Weight
    184.02  g/mol
    InChI Key
    IQRUSQUYPCHEKN-UHFFFAOYSA-N
    FDA UNII
    4302E40S4N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-iodobutane
    2.1.2 InChI
    InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
    2.1.3 InChI Key
    IQRUSQUYPCHEKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)I
    2.2 Other Identifiers
    2.2.1 UNII
    4302E40S4N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sec-butyl Iodide

    2. 513-48-4

    3. 2-butyl Iodide

    4. Butane, 2-iodo-

    5. Sec-iodobutane

    6. 2-jodbutan

    7. Nsc-8422

    8. 4302e40s4n

    9. 2-jodbutan [czech]

    10. Nsc 8422

    11. Einecs 208-163-1

    12. Un2390

    13. Brn 1718777

    14. 2-iodanylbutane

    15. 2-iodobutan

    16. Unii-4302e40s4n

    17. 2-iodo-butane

    18. Sec.-butyl Iodide

    19. Sec-c4h9i

    20. Schembl99121

    21. 2-01-00-00086 (beilstein Handbook Reference)

    22. Wln: Iy2&1

    23. (+/-)-2-iodobutane

    24. Iqrusquypchekn-uhfffaoysa-

    25. Dtxsid40858729

    26. Nsc8422

    27. Mfcd00001072

    28. Butane, 2-iodo-, (.+/-.)-

    29. Akos009157016

    30. Sec-butyl Iodide Dl-form [mi]

    31. Un 2390

    32. 2-iodobutane, Contains Copper As Stabilizer

    33. Ft-0612675

    34. 2-iodobutane [un2390] [flammable Liquid]

    35. A828546

    36. J-802088

    37. 2-iodobutane, >=98%, Contains Copper As Stabilizer

    38. Q27258588

    39. F2190-0175

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 184.02 g/mol
    Molecular Formula C4H9I
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count1
    Exact Mass183.97490 g/mol
    Monoisotopic Mass183.97490 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity19.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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