Dodeclonium Bromide

Base Information

• Chemical Name: Dodeclonium Bromide
• CAS No.: 15687-13-5
• Molecular Formula: C22H39 Cl N O . Br
• Molecular Weight: 448.915
• Hs Code.: 2923900090
• European Community (EC) Number: 239-779-9
• UNII: XD8BU85ZLK
• DSSTox Substance ID: DTXSID10935551
• Wikidata: Q27293790
• NCI Thesaurus Code: C65455
• ChEMBL ID: CHEMBL2106199
• Mol file: 15687-13-5.mol

Synonyms:Dodeclonium Bromide;15687-13-5;Dodeclonii bromidum;GR 412;Bromuro de dodeclonio;Bromure de dodeclonium;GR-412;XD8BU85ZLK;Dodeclonium bromide [INN];n-[2-(4-chlorophenoxy)ethyl]-n,n-dimethyldodecan-1-aminium bromide;2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium;bromide;(2-(p-Chlorophenoxy)ethyl)dodecyldimethylammonium bromide;Dodecloniumbromid;UNII-XD8BU85ZLK;CHEMBL2106199;SCHEMBL16049443;Dodeclonii bromidum [INN-Latin];DTXSID10935551;CHEBI:135977;DODECLONIUM BROMIDE [MART.];EINECS 239-779-9;Bromure de dodeclonium [INN-French];Bromuro de dodeclonio [INN-Spanish];DODECLONIUM BROMIDE [WHO-DD];Q27293790;[2-(4-chlorophenoxy)ethyl](dodecyl)dimethylazanium bromide;1-DODECANAMINIUM, N-(2-(4-CHLOROPHENOXY)ETHYL)-N,N-DIMETHYL-, BROMIDE (1:1)

Chemical Property of Dodeclonium Bromide

Chemical Property:

• Melting Point: 122 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 9.23000
• Density: g/cm³
• LogP: 3.72010
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 447.19036
• Heavy Atom Count: 26
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

DODECLONIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(C=C1)Cl.[Br-]
• Uses: Dodecaonium Bromide is used as an antimicrobial agent.

Technology Process of Dodeclonium Bromide

There total 2 articles about Dodeclonium 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:

4-chloro-phenol (106-48-9,82344-39-6) → [2-(4-chloro-phenoxy)-ethyl]-dodecyl-dimethyl-ammonium; bromide (15687-13-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

With ethanol; sodium ethanolate;

Reference yield:

1-(2-bromoethoxy)-4-chlorobenzene (2033-76-3) + N,N-dimethylaminododecane (112-18-5,83855-86-1) → [2-(4-chloro-phenoxy)-ethyl]-dodecyl-dimethyl-ammonium; bromide (15687-13-5)

Guidance literature:

upstream raw materials:

1-(2-bromoethoxy)-4-chlorobenzene

N,N-dimethylaminododecane

4-chloro-phenol