Benzyltrimethylammonium chloride

Base Information

• Chemical Name: Benzyltrimethylammonium chloride
• CAS No.: 56-93-9
• Molecular Formula: C10H16ClN
• Molecular Weight: 185.697
• Hs Code.: 2923.90
• European Community (EC) Number: 200-300-3
• UNII: VNK45Y7BA1
• DSSTox Substance ID: DTXSID8024600
• Wikidata: Q22829137
• Metabolomics Workbench ID: 123388
• ChEMBL ID: CHEMBL1372143
• Mol file: 56-93-9.mol

Synonyms:benzyltrimethylammonium;benzyltrimethylammonium acetate;benzyltrimethylammonium bromide;benzyltrimethylammonium butanoate;benzyltrimethylammonium carbonate (2:1);benzyltrimethylammonium chloride;benzyltrimethylammonium formate;benzyltrimethylammonium heptanoate;benzyltrimethylammonium hexafluorophosphate (1-);benzyltrimethylammonium hexanoate;benzyltrimethylammonium hydroxide;benzyltrimethylammonium iodide;benzyltrimethylammonium methoxide;benzyltrimethylammonium nonanoate;benzyltrimethylammonium octanoate;benzyltrimethylammonium pentanoate;benzyltrimethylammonium propanoate

Chemical Property of Benzyltrimethylammonium chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: <0.0001 hPa (20 °C)
• Melting Point: 236 °C (Decomposes)
• Refractive Index: n20/D 1.479
• Boiling Point: >135oC (Some decomp)
• PSA: 0.00000
• Density: 1.08 g/mL at 25 °C
• LogP: -1.10320
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: 800g/l
• Water Solubility.: 800 g/L
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 185.0971272
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Benzyltrimethylammonium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/38-36
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Uses: Solvent for cellulose, gelling inhibitor in polyester resins, intermediate. Benzyltrimethylammonium chloride are Ccommercially important catalyst. Used in antistatic agent, detergent Sanitisers, softner for textiles and paper products, phase transfer catalyst.

Technology Process of Benzyltrimethylammonium chloride

There total 11 articles about Benzyltrimethylammonium chloride 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: 95.0%

benzyl bromide (100-39-0) + trimethylamine (75-50-3) → benzyltrimethylammonium chloride (56-93-9)

Guidance literature:

In ethanol; acetone;

DOI:10.1021/jp992549u

Reference yield: 94.0%

benzyl chloride (100-44-7) + trimethylamine (75-50-3) → benzyltrimethylammonium chloride (56-93-9)

Guidance literature:

In diethyl ether; water; Ambient temperature;

DOI:10.1016/S0040-4020(01)85267-4

Reference yield: 73.0%

benzyltrismethylammonium methoxide (122-08-7) → benzyltrimethylammonium chloride (56-93-9)

Guidance literature:

With hydrogenchloride; In methanol; at 0 ℃; for 0.5h;

DOI:10.1021/jo9702195

upstream raw materials:

benzyl chloride

trimethylamine

benzyltrismethylammonium methoxide

benzyl bromide

Downstream raw materials:

N-methyldibenzylamine

benzyl methyl ether

N,N'-dimethylbenzylamine

methylene chloride

Refernces

• 1、 Li, Dong-Hao,Smith, Bradley D.. "Shape-Selective Recognition of Quaternary Ammonium Chloride Ion Pairs". . p. 2808 - 2816. Retrieved 2019/03/26.
• 2、 Zheng, Zhuo Qun,Wang, Jie,Wu, Ting Hua,Zhou, Xiao Ping. "Alkylation of ammonium salts catalyzed by imidazolium-based ionic liquid catalysts". . p. 1095 - 1101. Retrieved 2008/03/27.