7281-04-1

Basic information

• Product Name: Benzyldodecyldimethylammonium bromide
• Synonyms: ammonylbr1244;bacforbl;Benzalkonlumbromide;Benzenemethanaminium,N-dodecyl-N,N-dimethyl-,bromide;benzyldodecyldimethyl-ammoniubromide;bromekdwumetylolaurylobenzyloamoniowy;Bromo-Geramine;dimethyllaurylbenzeneammoniumbromide
• CAS NO: 7281-04-1
• Molecular Formula: Br*C₂₁H₃₈N
• Molecular Weight: 384.44
• EINECS: 230-698-4
• Product Categories: Water Ttreatment Chemicals;Amines;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 7281-04-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 50-55 °C
• Flash Point: 110 °C
• Appearance: /
• Storage Temp.: 2-8°C
• Solubility: H2O: soluble0.1g/10 mL, clear, colorless to very faintly yellow
• BRN: 3579193
• CAS DataBase Reference: Benzyldodecyldimethylammonium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: Benzyldodecyldimethylammonium bromide(7281-04-1)
• EPA Substance Registry System: Benzyldodecyldimethylammonium bromide(7281-04-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: BO7875000
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 7281-04-1(Hazardous Substances Data)

Usage

Chemical Properties

White to Off-White Low-Melting Solid

Uses

Different sources of media describe the Uses of 7281-04-1 differently. You can refer to the following data:
1. Benzyldodecyldimethylammonium bromide has been used in a study to assess the relation between chemical structure and germicidal efficacy in surface-active cations. It has also been used in a study to investigate pore size control during the synthesis of macroporous thermosensitive poly(N-isopropylacrylamide) hydrogels.
2. Benzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and medical equipment disinfectant.

General Description

Benzyldodecyldimethylammonium bromide is a cationic surfactant that may be used as an adsorbent for certain metals such as Cr(VI).

Safety Profile

Poison by ingestion andintraperitoneal routes. Whenheated to decomposition it emits very toxic fumes ofNH3, NOx, and Br -

InChI:InChI=1/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

Synthetic route

N,N'-dimethylbenzylamine (103-83-3) + 1-dodecylbromide (143-15-7) → ajatin (7281-04-1)

Conditions	Yield
In ethanol for 28h; Heating;	80%

N,N-dimethylaminododecane (112-18-5) + benzyl bromide (100-39-0) → ajatin (7281-04-1)

Conditions	Yield
In ethanol Heating;

Bis(2-ethylhexyl)phosphoric acid (298-07-7) + ajatin (7281-04-1) → benzyldimethyldodecylammonium di (2-ethylhexyl)phosphate

Conditions	Yield
With sodium carbonate In water at 25℃; for 24h; Inert atmosphere;	93%

ajatin (7281-04-1) → dodecyl dimethyl benzylammonium tribromide

Conditions	Yield
With potassium peroxymonosulfate; sodium bromide In water for 0.55h;	86%

Upstream product

• 103-83-3 N,N'-dimethylbenzylamine 
• 143-15-7 1-dodecylbromide 
• 112-18-5 N,N-dimethylaminododecane 
• 100-39-0 benzyl bromide 

Relevant articles and documents

Preparation of benzalkonium salts differing in the length of a side alkyl Chain

Benzalkonium salts are widely used as disinfectants, biocides and detergents, among a variety of other applications. The cationic surface-activity of these salts determines their potential to act as a biocide on both target and non-target organisms. In this study, a quick synthesis of a complete set of the benzalkonium salts differing in the length of an alkylating chain (from C2 to C20) is described. Moreover, their 1H-NMR, HPLC-MS, TLC and HPLC analysis were recorded.

ETUDE DE LA CO-ADSORPTION DE TENSIOACTIFS SUR CHARBON ACTIF DANS L'EAU

The purpose of this study is to examine the adsorption onto activated carbon of a cationic surfactant in micromolar quantity comparatively to anionic and nonionic surfactants formerly studied.The benzyldodecyldimethylammonium bromide : CH3(CH2)11(C6H5CH2)N(1+)(CH3)2Br(1-) (BBDDA) has been synthesized and puriied to compared also the adsorption properties of the benzyl group to the commercial hexadecyltrimethylammonium bromide.Mixed adsorption is studied with 2-naphthol and nonionic surfactants as co-adsorbats : nonyphenoxyheptaethoxyethanol (NP8) and dodecyletherpentoethoxyethanol (DE6).Langmuir or Freundlich isotherm equations were found to give a good representation of experimental data.The ultimate adsorption capacity (Γinfinite and equilibrium constants K were deduced : Γinfinite = 0.59 mmol/g and K = 5E-6 l/mol. Γinfinite is also estimated from kinetic curve and compared to Langmuir determination. the addition of NaCl and CaCl2 in the range 0-015M enhanced the adsorption capacity (by increasing K values) but Γinfinite was not significantly modified.However, the adsorption capacity for the cationic surfactant is quite reduced (K is diminished) in presence of 2-naphthol as co-adsorbat but Γinfinite has the some value.This shows the existence of specific adsorption sites for the two compounds.NP8 or DE6 diminished also the ultimate capacity adsorption of the BBDDA : Γinfinite + 0.38 for a mole fraction of 0.36 in NP8 and Γinfinite = 032mml/g for 0.47 in mole fraction of DE6; the carbon is saturated.The accurence of specific sites is infered using a model with an inhibition effect of the co-adsorbats.The "zero-potential" measurement on powered carbon suspension indicates that the initial negative value Γinfinite = -22 mV is incereased with NaCl or CaCl2 molarity, reaching -13 mV in 1E-2M NaCl and -9mV in 1 e-2M CaCl2.The cationic surfactant adsorption reduces also the zeta potential : its variation reaches 14 mV in 1E-4M CaCl2 or NaCl.Using the number of adsorbate molecules and Δξ we can estimate the thickness of the diffuse Debyae layer : 0.4 nm which indicates the proximity of the counter ions Br(1-) to ionic head group of cationic surfactant.