Benzododecinium chloride

Base Information

• Chemical Name: Benzododecinium chloride
• CAS No.: 139-07-1
• Deprecated CAS: 107397-84-2,51796-11-3,67377-59-7,78565-22-7,8038-88-8,95078-12-9,143243-76-9,173270-95-6,353491-88-0,1231166-23-6,1427499-25-9,284043-23-8,39403-41-3,63449-42-3,70294-44-9,1231166-23-6,1427499-25-9,143243-76-9,173270-95-6,353491-88-0,51796-11-3,67377-59-7,78565-22-7,8038-88-8,95078-12-9
• Molecular Formula: C21H38ClN
• Molecular Weight: 339.992
• Hs Code.: PRICE
• European Community (EC) Number: 205-351-5
• NSC Number: 85508
• UNII: Y5A751G47H
• DSSTox Substance ID: DTXSID6028492,DTXSID2040787
• Wikipedia: Euchlorine
• Wikidata: Q408727
• NCI Thesaurus Code: C79712
• RXCUI: 1311592
• ChEMBL ID: CHEMBL1885899
• Mol file: 139-07-1.mol

Synonyms:ADB-12;Ajatin;benzododecinium;benzyl dimethyl dodecyl ammonium;benzyldimethyldodecylammonium bromide;benzyldodecyldimethylammonium chloride;BZK-C12;dimethyldodecylbenzylammonium;dimethyldodecylbenzylammonium bromide;dimethyldodecylbenzylammonium chloride;dimethyldodecylbenzylammonium maleate (2:1);dimethyldodecylbenzylammonium nitrate;dodecyldimethylbenzylammonium chloride;Sterinol

Chemical Property of Benzododecinium chloride

Chemical Property:

• Appearance/Colour: Pale yellow transparent liquid
• Vapor Pressure: 0Pa at 20℃
• Melting Point: ~60 °C
• Boiling Point: 162.7℃[at 101 325 Pa]
• PSA: 0.00000
• Density: 1.03[at 20℃]
• LogP: 3.18790
• Storage Temp.: Store below +30°C.
• Solubility.: 866g/L in organic solvents at 20 ℃
• Water Solubility.: 2g/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 339.2692779
• Heavy Atom Count: 23
• Complexity: 240

Purity/Quality:

99%min ^*data from raw suppliers

Zephirol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 21/22-34-50-50/53
• Safety Statements: 36/37/39-45-61-60-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Uses: Benzyldimethyldodecylammonium chloride, a quaternary ammonium compound (QAC), is a cationic surfactant that shows antimicrobial activity against Gram-negative bacterium Pseudomonas fluorescens. It can be used as a:corrosion inhibitor.synergist to increase the toxicity of the pesticide, indoxacarb against various pests.model for benzyltrialkylammonium salts to study the thermal degradation pathway of benzyl QACs. Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases.

Technology Process of Benzododecinium chloride

There total 10 articles about Benzododecinium 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: 92.5%

N,N-dimethylaminododecane (112-18-5,83855-86-1) + benzyl chloride (100-44-7) → zephirol (139-07-1,95078-12-9)

Guidance literature:

In acetone; at 40 ℃; for 3h; Temperature; Solvent; Large scale;

Reference yield: 35.3%

N,N'-dimethylbenzylamine (103-83-3) + 1-chlorododecane (112-52-7) → zephirol (139-07-1,95078-12-9)

Guidance literature:

In ethanol; at 80 ℃; for 28h;

Reference yield:

N,N-dimethylaminododecane (112-18-5,83855-86-1) + N,N-dimethyl-n-tetradecylamine (112-75-4) + benzyl chloride (100-44-7) → zephirol (139-07-1,95078-12-9) + benzyldimethyltetradecylammonium chloride (139-08-2)

Guidance literature:

at 40 - 90 ℃; for 25h;

upstream raw materials:

N,N-dimethylaminododecane

benzyl chloride

N,N'-dimethylbenzylamine

1-chlorododecane

Downstream raw materials:

3-nitro-benzaldehyde

perhydrobisphenol A diallyl ether

2-nitro-4-trifluoromethylphenol

benzyldimethyldodecylammonium mandelate

Refernces

• 1、 -. "Fatty alkyl dimethyl benzyl quaternary ammonium salt synthesis method". Paragraph 0039-0042; 0055; 0056; 0059-0064; 0070-0075. . Retrieved 2019/04/26.
• 2、 -. "Synthetic method of aryl sulphobetaine in solvent-free system". Paragraph 0028; 0029; 0045; 0046. . Retrieved 2017/04/03.