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Home > Encyclopedia > Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) structure

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) 

structure
  • CAS No:

    4207-56-1

  • Formula:

    C9H14N.Br3

  • Chemical Name:

    Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)

  • Synonyms:

    Benzenaminium,N,N,N-trimethyl-,(tribromide) (1:1);Ammonium,trimethylphenyl-,(tribromide);Benzenaminium,N,N,N-trimethyl-,(tribromide);Trimethylphenylammonium tribromide;Bromide (Br31-),N,N,N-trimethylbenzenaminium;Jacques reagent;Phenyltrimethylammonium tribromide;Phenyltrimethylammonium perbromide;Trimethylphenylammonium perbromide;NSC 138640;NSC 173340;NSC 87897;40379-10-0

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

orange crystalline powder

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) Basic Attributes

375.93

372.86800

3919459

224-127-8

9V4E7J2MSS

173340|138640|87897

2923900090

Characteristics

Orange Crystalline Powder

2.2071 (rough estimate)

113-115 °C

H2O: Insoluble ;ethanol: 10 mg/mL hot, clear

Refrigerator

Safety Information

6.1(b)

UN 3261 8/PG 2

3

34-37

26-36/37/39-45-24/25

C

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

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.)

hydroxide of phenyltrimethylammonium

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) Use and Manufacturing

Methods of Manufacturing

Methyl 2-(bromoacetyl)-1-naphthoate Diisopropylethylamine (0.10 mL) and phenyltrimethylammoniumtribromide (747 mg) were added to a solution of the compound prepared in (454 mg) in 1, 2-dimethoxyethane (10 mL), and the reaction mixture was stirred for 3.5 hours at room temperature. The reaction mixture was filtered, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by column chromatography on silica gel (hexane:ethyl acetate=75:25) to give the title compound (325 mg) having the following physical data. TLC: Rf 0.40 (hexane:ethyl acetate=3:1); 1H-NMR (CDCl3): delta 4.07 (s, 3H), 4.51 (s, 2H), 7.57-7.70 (m, 2H), 7.81 (d, 1H), 7.87-7.95 (m, 1H), 7.97-8.10 (m, 2H).

Uses

Polyhalogenated quaternary ammonium salt.

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1): ACTIVE

Computed Properties

Molecular Weight:375.93
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:374.86559
Monoisotopic Mass:372.86764
Heavy Atom Count:13
Complexity:95.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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