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    P-Trifluoromethoxyaniline

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 461-82-5, 4-trifluoromethoxyaniline, Benzenamine, 4-(trifluoromethoxy)-, 4-trifluoromethoxy-phenylamine, 4-(trifluoromethoxy)benzenamine, P-trifluoromethoxyaniline
    Molecular Formula
    C7H6F3NO
    Molecular Weight
    177.12  g/mol
    InChI Key
    XUJFOSLZQITUOI-UHFFFAOYSA-N
    FDA UNII
    P40L42CVF6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(trifluoromethoxy)aniline
    2.1.2 InChI
    InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
    2.1.3 InChI Key
    XUJFOSLZQITUOI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1N)OC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    P40L42CVF6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-tfmea

    2. 4-trifluoromethoxyaniline

    2.3.2 Depositor-Supplied Synonyms

    1. 461-82-5

    2. 4-trifluoromethoxyaniline

    3. Benzenamine, 4-(trifluoromethoxy)-

    4. 4-trifluoromethoxy-phenylamine

    5. 4-(trifluoromethoxy)benzenamine

    6. P-trifluoromethoxyaniline

    7. Alpha,alpha,alpha-trifluoro-p-anisidine

    8. 4-trifluoromethoxyphenylamine

    9. P-aminotrifluoromethoxybenzene

    10. P40l42cvf6

    11. P-aminophenyl Trifluoromethyl Ether

    12. Unii-p40l42cvf6

    13. Einecs 207-317-5

    14. Mfcd00041314

    15. 4trifluoromethoxyaniline

    16. 4-trifluoromethoxyanilin

    17. P-trifluromethoxy Aniline

    18. 4-trifluromethoxy Aniline

    19. Paratrifluoromethoxyaniline

    20. P-trifluoromethoxy Aniline

    21. 4-trifluoromethoxy Aniline

    22. 4-trifluoromethoxy-aniline

    23. 4-(trifluormethoxy)aniline

    24. Para-trifluoromethoxyaniline

    25. Ec 207-317-5

    26. 4-(triflouromethoxy)aniline

    27. Schembl5073

    28. 4-(trifluormethoxy)-aniline

    29. Timtec1_005779

    30. A,a,a-trifluoro-p-anisidine

    31. 4-(trifluoro Methoxy)aniline

    32. 4-(trifluoromethoxy)-aniline

    33. 4-trifluoromethoxy Phenylamine

    34. 4-trifluoromethoxyphenyl Amine

    35. Para-(trifluoromethoxy)aniline

    36. 4-[(trifluoromethyl)oxy]aniline

    37. 4-(trifluoromethoxy)-benzenamine

    38. Xujfoslzqituoi-uhfffaoysa-

    39. Zinc81472

    40. Dtxsid70196722

    41. 4-(trifluoro-methoxy)-benzenamine

    42. [4-(trifluoromethoxy)phenyl]amine

    43. Hms1550g15

    44. P-(trifluoromethoxy)aniline

    45. 4-(trifluoromethoxy)aniline, 98%

    46. Act00172

    47. Bcp24463

    48. Stk400146

    49. Akos000119641

    50. Cs-w017380

    51. Ps-8570

    52. Sdccgmls-0066269.p001

    53. Ncgc00173519-01

    54. Db-024093

    55. Am20040521

    56. Ft-0616870

    57. Riluzole Related Compound A [usp-rs]

    58. T1345

    59. A937646

    60. Riluzole Related Compound A [usp Impurity]

    61. W-106098

    62. Q27286099

    63. F2190-0445

    64. P-anisidine, .alpha.,.alpha.,.alpha.-trifluoro-

    65. Z1245735286

    66. Riluzole Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 177.12 g/mol
    Molecular Formula C7H6F3NO
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass177.04014830 g/mol
    Monoisotopic Mass177.04014830 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity140
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1