Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
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Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
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CAS No:
4207-56-1
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Formula:
C9H14N.Br3
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Chemical Name:
Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
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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
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CAS No:
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
Ⅱ
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
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).
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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Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
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