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Chemistry

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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

Trimethylphenylammonium tribromide
1 2D Structure

Trimethylphenylammonium tribromide

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.)


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11-Mar-2024
11-Mar-2024
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