98-04-4

Basic information

• Product Name: Phenyltrimethylammonium iodide
• Synonyms: n,n,n-trimethylaniliniumiodide;n,n,n-trimethyl-benzenaminiuiodide;n,n,n-trimethylbenzenaminiumiodide;n,n-dimethylanilinemethiodide;phenyltrimethyl-ammoniuiodide;trimethylanilliniumiodide;trimethylphenyl-ammoniuiodide;PHENYLTRIMETHYLAMMONIUM IODIDE
• CAS NO: 98-04-4
• Molecular Formula: C₉H₁₄N*I
• Molecular Weight: 263.12
• EINECS: 202-630-3
• Product Categories: Ammonium Iodides (Quaternary);Quaternary Ammonium Compounds;Amines;Aromatics
• Mol File: 98-04-4.mol
• Article Data: 15

Chemical Properties

• Melting Point: 227 °C (subl.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: White to slightly green/Slightly Crystalline Powder or Flakes
• Density: 1.4709 (estimate)
• Storage Temp.: Refrigerator
• Solubility: Methanol, Water
• Water Solubility: Soluble in water and methanol.
• Sensitive: Light Sensitive
• Merck: 14,7318
• BRN: 3916752
• CAS DataBase Reference: Phenyltrimethylammonium iodide(CAS DataBase Reference)
• NIST Chemistry Reference: Phenyltrimethylammonium iodide(98-04-4)
• EPA Substance Registry System: Phenyltrimethylammonium iodide(98-04-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/39-37/39
• RIDADR: UN2811
• WGK Germany: 3
• RTECS: BT2450000
• F: 3-8
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 98-04-4(Hazardous Substances Data)

Usage

Chemical Properties

white to slightly green cryst. powder or flakes

Uses

Different sources of media describe the Uses of 98-04-4 differently. You can refer to the following data:
1. For the detection and determination of cadmium.
2. Phenyltrimethylammonium iodide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.

InChI:InChI=1/C9H13N.HI/c1-6-4-5-9(10)8(3)7(6)2;/h4-5H,10H2,1-3H3;1H

Upstream product

• 105909-65-7 N-((furan-2-yl)methyl)-N-methylbenzenamine 
• 67-64-1 acetone 
• 74-88-4 methyl iodide 
• 60-29-7 diethyl ether 
• 121-69-7 N,N-dimethyl-aniline 
• 62-53-3 aniline 
• 122-66-7 diphenyl hydrazine 
• 32119-53-2 N-methyl-N-phenacylaniline 
• 35616-26-3 N-isopropyl-N,N-dimethyl-anilinium; iodide 
• 109015-39-6 N-isopentyl-N,N-dimethyl-anilinium; iodide 
• 1006-07-1 N-ethyl-N,N-dimethylanilinium iodide 
• 25458-36-0 N-benzyl-N,N-dimethyl-anilinium; iodide 
• 64-17-5 ethanol 
• 874-52-2 N,N-dimethylaniline N-oxide 

Downstream Products

• 769-06-2 N,N,2,6-tetramethylaniline 
• 138-24-9 phenyltrimethylammonium chloride 
• 1899-02-1 trimethylphenylammonium hydroxide 
• 29879-24-1 tri-N-methyl-anilinium; triiodide 
• 52045-06-4 tri-N-methyl-anilinium; dibromo iodate(I) 
• 121-69-7 N,N-dimethyl-aniline 
• 88-05-1 2,4,6-trimethylaniline 
• 87-85-4 Hexamethylbenzene 
• 2243-30-3 pentamethylaniline 
• 609-72-3 N,N-dimethyl-o-toluidine 
• 99-97-8 Dimethyl-p-toluidine 
• 767-71-5 N-methyl-2,6-dimethylaniline 
• 75-50-3 trimethylamine 
• 2485-03-2 phenyltrimethylammonium methoxide 

Relevant articles and documents

A simple radiometric in vitro assay for acetylcholinesterase inhibitors

A radiometric method for screening acetylcholinesterase inhibitors has been described. The method is based on the production of [14C]carbon dioxide from the hydrolysis of acetylcholine. The inhibitory concentration at 50% (IC50) values for several known acetylcholinesterase inhibitors were in agreement with literature values. The new radiometric method is simple, inexpensive, and has the potential for automation.

Design and synthesis of a task-specific ionic liquid as a transducer in potentiometric sensors

A task-specific ionic liquid called N,N,N-trimethylaniline hexafluorophosphate was synthesized and further employed as an ion-to-electron transducer in potentiometric sensors with excellent performance. The Royal Society of Chemistry 2013.

Quaternization reaction of aromatic heterocyclic imines in methanol - A case of strong anti-reactivity selectivity principle with isoselective temperature

Accurate second-order rate constants were measured at 5 °C intervals in the temperature range 20-60 °C for the Menshutkin reaction of 1-methylbenzimidazole, 2-amino-1-methylbenzimidazole and N,N-dimethylaniline with iodomethane and iodoethane in methanol. In every case a good linearity in the Eyring plots was observed. Values for the activation enthalpy and entropy are reported. Analysis in terms of Exner's redefinition of the reactivity-selectivity principle (RSP) identified the present reaction series as a case of strong anti-RSP for selectivity towards the substrate. This case is shown to represent an isoselective relationship with the isoselective temperature lower than the experimental temperatures (β(is) = -52 °C). The isokinetic relationship does not hold in the reaction series with a fixed substrate. These findings suggest an early transition state in the Menshutkin reaction of polyfunctional aromatic imines.