Benzyldimethyloctylammonium chloride

Base Information

• Chemical Name: Benzyldimethyloctylammonium chloride
• CAS No.: 959-55-7
• Deprecated CAS: 1427499-23-7
• Molecular Formula: C17H30N•Cl
• Molecular Weight: 283.885
• Hs Code.: 2923900090
• European Community (EC) Number: 213-502-1
• UNII: OC19CZY82T
• DSSTox Substance ID: DTXSID6041634
• Wikidata: Q27285562
• ChEMBL ID: CHEMBL3277499
• Mol file: 959-55-7.mol

Synonyms:Benzyldimethyloctylammonium chloride;959-55-7;Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride;benzyl-dimethyl-octylazanium;chloride;Octyl-dimethyl-benzylammonium chloride;EINECS 213-502-1;N,N-Dimethyl-N-octylbenzenemethanaminium chloride;UNII-OC19CZY82T;OC19CZY82T;Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (1:1);N-Caprylyl-N,N-dimethylbenzylammonium chloride;N-Benzyl-N,N-dimethyloctan-1-aminium chloride;AMMONIUM, BENZYLDIMETHYLOCTYL-, CHLORIDE;Benzalkonium chloride (50% in Water);MFCD00145757;starbld0018996;SCHEMBL28965;CAPRYLYLALKONIUM CHLORIDE;CHEMBL3277499;DTXSID6041634;dimethyloctylbenzylammonium chloride;octylbenzyldimethylammonium chloride;octyldimethylbenzylammonium chloride;benzyl-dimethyl-octyl-ammonium chloride;HY-126398A;CAPRYLYLALKONIUM CHLORIDE [INCI];AS-83678;LS-16814;HY-126398;CS-0103352;CS-0182092;DIMETHYLBENZYL-N-OCTYLAMMONIUM CHLORIDE;N-OCTYL DIMETHYL BENZYL AMMONIUM CHLORIDE;Benzyldimethyloctylammonium chloride, >=96.0% (AT);Q27285562;Benzyldimethyloctylammonium chloride 100 microg/mL in Acetonitrile

Chemical Property of Benzyldimethyloctylammonium chloride

Chemical Property:

• PSA: 0.00000
• LogP: 1.62750
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 283.2066777
• Heavy Atom Count: 19
• Complexity: 192

Purity/Quality:

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

Benzyldimethyloctylammonium chloride ≥96.0% (AT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3771220
• Hazard Codes: C,N
• Statements: 21/22-34-50
• Safety Statements: 36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Technology Process of Benzyldimethyloctylammonium chloride

There total 5 articles about Benzyldimethyloctylammonium 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: 91.9%

N,N-dimethyloctanamide (7378-99-6) + benzyl chloride (100-44-7) → benzyldimethyl-n-octylammonium chloride (959-55-7)

Guidance literature:

In acetonitrile; at 50 ℃; for 5h; Large scale;

Reference yield:

n-chlorooctane (111-85-3) → benzyldimethyl-n-octylammonium chloride (959-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O / 140 - 150 °C

2: H₂O / 60 - 65 °C

In water;

DOI:10.1007/BF00779905

Reference yield:

1-bromo-octane (111-83-1) → benzyldimethyl-n-octylammonium chloride (959-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: H₂O

In ethanol; water;

DOI:10.1007/BF00761185

upstream raw materials:

N,N'-dimethylbenzylamine

n-chlorooctane

2,3-dimethylbenzylamine

N,N-dimethyloctanamide

Downstream raw materials:

bis(benzyldimethyloctylazaniumyl)tetrachloroplatinumdiuide

Refernces

• 1、 -. "Synthetic method of aryl sulphobetaine in solvent-free system". Paragraph 0051; 0052. . Retrieved 2017/04/03.
• 2、 Campanac,Pineau,Payard,Baziard-Mouysset,Roques. "Interactions between biocide cationic agents and bacterial biofilms". . p. 1469 - 1474. Retrieved 2007/10/03.