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    P-Trifluoromethylbenzyl Bromide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 402-49-3, 4-(trifluoromethyl)benzyl bromide, 4-trifluoromethylbenzyl bromide, 4-(bromomethyl)benzotrifluoride, P-trifluoromethylbenzyl bromide, Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-
    Molecular Formula
    C8H6BrF3
    Molecular Weight
    239.03  g/mol
    InChI Key
    IKSNDOVDVVPSMA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(bromomethyl)-4-(trifluoromethyl)benzene
    2.1.2 InChI
    InChI=1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
    2.1.3 InChI Key
    IKSNDOVDVVPSMA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CBr)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 402-49-3

    2. 4-(trifluoromethyl)benzyl Bromide

    3. 4-trifluoromethylbenzyl Bromide

    4. 4-(bromomethyl)benzotrifluoride

    5. P-trifluoromethylbenzyl Bromide

    6. Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-

    7. 4-(trifluoromethyl)benzylbromide

    8. 4-trifluoromethylbenzylbromide

    9. Alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene

    10. 4-trifluoromethyl Benzyl Bromide

    11. 4-(trifluoromethyl) Benzyl Bromide

    12. 4-(trifluoromethyl)-benzyl Bromide

    13. P-(trifluoromethyl)benzyl Bromide

    14. Einecs 206-947-8

    15. Mfcd00000403

    16. Schembl4229

    17. 4-trifluoromethybenzyl Bromide

    18. 4-trifluoromethyl Benzylbromide

    19. 4-trifluoromethyl-benzylbromide

    20. 4-trifluoromethylbenzyl-bromide

    21. 4-(trifloromethyl)benzylbromide

    22. 4-trifluromethyl Benzyl Bromide

    23. Ambz0148

    24. P-trifluoromethyl-benzyl Bromide

    25. 4-trifluoromethyl-benzyl Bromide

    26. 4-(trifluoromethyl)-benzylbromide

    27. Dtxsid30193196

    28. 4-(trifluoromethyl) Benzylbromide

    29. Act13349

    30. Zinc2242589

    31. 4-trifluoromethylphenylmethyl Bromide

    32. A'-bromo-a,a,a-trifluoro-p-xylene

    33. Bbl027295

    34. Bromomethyl-4-trifluoromethyl-benzene

    35. Stl377330

    36. 1-bromomethyl-4-trifluoromethylbenzene

    37. Akos001171475

    38. Ac-9767

    39. Am62176

    40. Cs-w018337

    41. Gs-3501

    42. 1-bromomethyl-4-trifluoromethyl-benzene

    43. 4-(trifluoromethyl)benzyl Bromide, 98%

    44. [4-(trifluoromethyl)-phenyl]methyl Bromide

    45. Db-024000

    46. A6732

    47. Ft-0616922

    48. T1313

    49. 1-(bromomethyl)-4-(trifluoromethyl)benzene #

    50. En300-15248

    51. Alpha-bromo-alpha',alpha',alpha'-trifluoro-p-xylene

    52. W-106371

    53. F2190-0266

    54. .alpha.'-bromo-.alpha.,.alpha.,.alpha.-trifluoro-p-xylene

    55. 4-(trifluoromethyl)benzyl Bromide; 1-(bromomethyl)-4-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 239.03 g/mol
    Molecular Formula C8H6BrF3
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass237.96050 g/mol
    Monoisotopic Mass237.96050 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1