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    Trimethylphenylammonium tribromide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 225Xls

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    2D Structure
    Also known as: 4207-56-1, Mono(n,n,n-trimethylbenzenaminium) tribromide, Trimethylphenylammonium tribromide, Jacques reagent, 9v4e7j2mss, Trimethylphenylammoniumtribromide
    Molecular Formula
    C9H14Br3N
    Molecular Weight
    375.93  g/mol
    InChI Key
    PRXNKYBFWAWBNZ-UHFFFAOYSA-N
    FDA UNII
    9V4E7J2MSS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C9H14N.Br3/c1-10(2,3)9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;/q+1;-1
    2.1.2 InChI Key
    PRXNKYBFWAWBNZ-UHFFFAOYSA-N
    2.1.3 Canonical SMILES
    C[N+](C)(C)C1=CC=CC=C1.Br[Br-]Br
    2.2 Other Identifiers
    2.2.1 UNII
    9V4E7J2MSS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hydroxide Of Phenyltrimethylammonium

    2. Iodide Of Phenyltrimethylammonium

    3. Phenyltrimethylammonium

    4. Phenyltrimethylammonium Acetate

    5. Phenyltrimethylammonium Benzenesulfonate

    6. Phenyltrimethylammonium Bromide

    7. Phenyltrimethylammonium Chloride

    8. Phenyltrimethylammonium Tosylate

    9. Phenyltrimethylammonium, Tri(methyl-3(2)h)-labeled Cpd

    10. Trimethyl-d9-anilinium Hydroxide

    11. Trimethylanilinium

    12. Trimethylanilinium Iodide

    13. Trimethylphenylammonium Hydroxide

    14. Trimethylphenylammonium Iodide

    15. X-tractelute

    2.3.2 Depositor-Supplied Synonyms

    1. 4207-56-1

    2. Mono(n,n,n-trimethylbenzenaminium) Tribromide

    3. Trimethylphenylammonium Tribromide

    4. Jacques Reagent

    5. 9v4e7j2mss

    6. Trimethylphenylammoniumtribromide

    7. Nsc-87897

    8. Nsc-138640

    9. Nsc-173340

    10. Ammonium, (tribromide)

    11. Benzenaminium, N,n,n-trimethyl-, (tribromide)

    12. Benzenaminium, N,n,n-trimethyl-, (tribromide) (1:1)

    13. Benzenaminium,n,n-trimethyl-, (tribromide)

    14. Einecs 224-127-8

    15. Nsc 87897

    16. Nsc 138640

    17. Nsc 173340

    18. Ammonium, Trimethylphenyl-, (tribromide)

    19. Mono(n,n,n-trimethylbenzenaminium)tribromide

    20. Unii-9v4e7j2mss

    21. Schembl17007192

    22. Nsc87897

    23. Mfcd00011789

    24. Nsc138640

    25. Nsc173340

    26. Trimethylphenylammonium Perbromide

    27. Trimethylphenylammonium Tribromide, 97%

    28. Phenyltrimethylammonium Bromide-perbromide

    29. As-11338

    30. P0928

    31. A825752

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 375.93 g/mol
    Molecular Formula C9H14Br3N
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass374.86559 g/mol
    Monoisotopic Mass372.86764 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity95.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Indicators and Reagents

    Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)