Decyltrimethylammonium bromide

Base Information

• Chemical Name: Decyltrimethylammonium bromide
• CAS No.: 2082-84-0
• Molecular Formula: C13H30N^.Br
• Molecular Weight: 280.292
• Hs Code.: 29239000
• European Community (EC) Number: 218-219-7
• NSC Number: 9951
• UNII: HE2Q73PXL4
• DSSTox Substance ID: DTXSID80883792
• Wikidata: Q27225723
• Metabolomics Workbench ID: 66951
• ChEMBL ID: CHEMBL120782
• Mol file: 2082-84-0.mol

Synonyms:C10QAC;decyltrimethylammonium;decyltrimethylammonium bromide;decyltrimethylammonium chloride;decyltrimethylammonium iodide;decyltrimethylammonium mesylate salt;DTAB

Chemical Property of Decyltrimethylammonium bromide

Chemical Property:

• Appearance/Colour: white to beige chunks and powder
• Melting Point: 243 °C
• Refractive Index: 1.5260 (estimate)
• PSA: 0.00000
• Density: 1.1819 (rough estimate)
• LogP: 0.83730
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 279.15616
• Heavy Atom Count: 15
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Decyltrimethylammonium Bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC[N+](C)(C)C.[Br-]
• Uses: (1-Decyl)trimethylammonium bromide is used in high performance liquid chromatography and in nuclear magnetic resonance. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Technology Process of Decyltrimethylammonium bromide

There total 2 articles about Decyltrimethylammonium 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:

1-bromo dodecane (112-29-8) + trimethylamine (75-50-3) → Trimethyldecylammonium bromide (2082-84-0)

Guidance literature:

With ethanol;

Reference yield:

→ Trimethyldecylammonium bromide (2082-84-0)

Guidance literature:

DOI:10.1021/ja01018a036

Reference yield:

3,3',3''-(nitrilotris(benzene-4,1-diyl))triacrylic acid + Trimethyldecylammonium bromide (2082-84-0) → C27H18NO6(3-)*3Na(1+)*C13H30N(1+)*Br(1-)

Guidance literature:

3,3',3''-(nitrilotris(benzene-4,1-diyl))triacrylic acid; With sodium hydroxide; In water; at 60 ℃; for 8h;

Trimethyldecylammonium bromide; In water; at 25 ℃; for 0.5h;

DOI:10.1016/j.dyepig.2017.01.035

upstream raw materials:

1-bromo dodecane

trimethylamine

Refernces

• 1、 Dai, Kotaro,Nomoto, Kuniharu,Ueno, Shinji,Tomono, Kazuaki,Miyamura, Kazuo. "Odd-even effect and unusual behavior of dodecyl-substituted analogue observed in the crystal structure of alkyltrimethylammonium-[Ni(dmit) 2]- salts". experimental part. p. 312 - 319. Retrieved 2011/05/13.