Trimethylphenylammonium bromide

Base Information

• Chemical Name: Trimethylphenylammonium bromide
• CAS No.: 16056-11-4
• Molecular Formula: C9H14BrN
• Molecular Weight: 216.121
• Hs Code.: 29239000
• European Community (EC) Number: 240-202-8
• DSSTox Substance ID: DTXSID60884868
• Wikidata: Q63393463
• Mol file: 16056-11-4.mol

Synonyms:hydroxide of phenyltrimethylammonium;iodide of phenyltrimethylammonium;phenyltrimethylammonium;phenyltrimethylammonium acetate;phenyltrimethylammonium benzenesulfonate;phenyltrimethylammonium bromide;phenyltrimethylammonium chloride;phenyltrimethylammonium tosylate;phenyltrimethylammonium tribromide;phenyltrimethylammonium, tri(methyl-3(2)H)-labeled cpd;trimethyl-d9-anilinium hydroxide;trimethylanilinium;trimethylanilinium iodide;trimethylphenylammonium hydroxide;trimethylphenylammonium iodide;X-TractElute

Chemical Property of Trimethylphenylammonium bromide

Chemical Property:

• Appearance/Colour: white to blue crystalline powder or chunks
• Melting Point: 215 °C (dec.)(lit.)
• Refractive Index: 1.5870 (estimate)
• PSA: 0.00000
• Density: 1.2
• LogP: -1.11270
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency in Water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.03096
• Heavy Atom Count: 11
• Complexity: 95.8

Purity/Quality:

98%, ^*data from raw suppliers

N,N,N-TrimethylbenzenaminiumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)C1=CC=CC=C1.[Br-]

Technology Process of Trimethylphenylammonium bromide

There total 21 articles about Trimethylphenylammonium bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Acetyl bromide (506-96-7) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → N-acetyl-N-methylaniline (579-10-2) + N,N,N-trimethylanilinium bromide (16056-11-4)

Guidance literature:

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 2-(methyl-phenyl-amino)-propionic acid ethyl ester (214709-69-0) + N,N,N-trimethylanilinium bromide (16056-11-4)

Guidance literature:

at 125 - 130 ℃;

Reference yield:

methanol (67-56-1) → N,N,N-trimethylanilinium bromide (16056-11-4)

Guidance literature:

upstream raw materials:

methanol

N,N-dimethyl-aniline

methyl bromide

bromocyane

Downstream raw materials:

phenyltrimethylammonium tribromide

tri-N-methyl-anilinium; dibromo iodate(I)

tri-N-methyl-anilinium; dichloro bromate(I)

methyl bromide

Refernces

• 1、 -. "7-SUBSTITUTED BENZOFURAN DERIVATIVES". . . Retrieved 2008/06/13.