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    Technical details about Selectfluor, learn more about the structure, uses, toxicity, action, side effects and more

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    Selectfluor

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 84Xls

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    2D Structure
    Also known as: 140681-55-6, Selectfluor, 1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate, Selectfluor fluorinating reagent, 4p1za6r76d, N-fluoro-n'-chloromethyltriethylenediamine bis(tetrafluoroborate)
    Molecular Formula
    C7H14B2ClF9N2
    Molecular Weight
    354.3  g/mol
    InChI Key
    TXRPHPUGYLSHCX-UHFFFAOYSA-N
    FDA UNII
    4P1ZA6R76D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
    2.1.2 InChI
    InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
    2.1.3 InChI Key
    TXRPHPUGYLSHCX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
    2.2 Other Identifiers
    2.2.1 UNII
    4P1ZA6R76D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane Bis(tetrafluoroborate)

    2. Selectfluor

    2.3.2 Depositor-Supplied Synonyms

    1. 140681-55-6

    2. Selectfluor

    3. 1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium Tetrafluoroborate

    4. Selectfluor Fluorinating Reagent

    5. 4p1za6r76d

    6. N-fluoro-n'-chloromethyltriethylenediamine Bis(tetrafluoroborate)

    7. 1-chloromethyl-4-fluoro-1,4-diazobicyclo(2.2.2)octane Bis(tetrafluoroborate)

    8. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate)

    9. N-fluoro-n'-chloromethyltriethylenediaminebis(tetrafluoroborate)

    10. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Tetrafluoroborate

    11. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate

    12. 1,4-diazoniabicyclo[2.2.2]octane, 1-(chloromethyl)-4-fluoro-, Bis[tetrafluoroborate(1-)]

    13. F-teda

    14. N-fluoro-n'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate

    15. N-fluoro-n'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate)

    16. F-teda-bf4

    17. 1,4-diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, Bis(tetrafluoroborate(1-))

    18. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane Bis(tetrafluoroborate)

    19. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane Bis(tetrafluoroborate)

    20. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate)

    21. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate);n-chloromethyl-n'-fluorotriethylenediammonium Bis(tetrafluoroborate);f-teda

    22. Unii-4p1za6r76d

    23. Selectflor

    24. Selectflour

    25. 1-(chloromethyl)4-fluoro-1,4-diazoniabicyclo(2.2.2]octane Bis(tetrafluoroborate)

    26. 1-(chloromethyl)4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate)

    27. Selectfluor I

    28. Selectfluor [mi]

    29. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Ditetrafluoroborate

    30. Ec 414-380-4

    31. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate)

    32. Schembl23727

    33. Selectfluor? Fluorinating Reagent

    34. Amy3076

    35. Act08538

    36. Fd2003

    37. Mfcd00142607

    38. N-chloromethyl-n'-fluorotriethylenediammonium Bis(tetrafluoroborate)

    39. Akos005063342

    40. Gs-3626

    41. 1,4-diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, Tetrafluoroborate(1-) (1:2)

    42. F0358

    43. Ft-0600258

    44. A807678

    45. J-503538

    46. Q2649515

    47. F0001-0486

    48. Selectfluor(r) Fluorinating Reagent, >95% In F+ Active

    49. N-fluoro-n`-chloromethyltriethylenediaminebis(tetrafluoroborate)

    50. N-fluoro-n'-chloromethyltriethylenediaminebis (tetrafluoroborate)

    51. 4-diazoniabicyclo[2.2.2]octane,1-(chloromethyl)-4-fluoro-bis[tetrafluorobo

    52. 1-( Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate)

    53. 1-(chloromethyl)-4-fluoro-1,4 Diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate)

    54. 1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium Bis(tetrafluoroborate)

    55. 1-(chloromethyl)-4-fluoro-1,4-diazonia-bicyclo[2.2.2]octane Tetrafluoroborate(i)

    56. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo-[2.2.2]octane Bis(tetrafluoroborate)

    57. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane Bis(tetrafluoroborate)

    58. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis-(tetrafluoroborate)

    59. 1-(chloromethyl)-4fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate)

    60. 1-chloromethyl-4-fluoro-1,4-diazonia-bicyclo[2.2.2]octane Bis(tetrafluoroborate)

    61. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo [2.2.2]-octane Bis(tetrafluoroborate)

    62. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo [2.2.2]octane Bis(tetrafluoroborate)

    63. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo-(2.2.2)octane Bis(tetrafluoroborate)

    64. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis-(tetrafluoroborate)

    65. 1,4-diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, Tetrafluoroborate(1-)

    66. 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;n-fluoro-n'-chloromethyltriethylenediamine Bis(tetrafluoroborate)

    67. 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate), Purum, >=97.0% (nmr)

    68. 4-(chloromethyl)-1-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium; Bis(tetrafluoroboranuide)

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 354.3 g/mol
    Molecular Formula C7H14B2ClF9N2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count1
    Exact Mass354.0887899 g/mol
    Monoisotopic Mass354.0887899 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity168
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3