7281-04-1
Dodecyl dimethyl benzyl ammonium bromide
CAS: 7281-04-1
Molecular Formula: C21H38BrN
7281-04-1 - Names and Identifiers
7281-04-1 - Physico-chemical Properties
| Molecular Formula | C21H38BrN |
| Molar Mass | 384.44 |
| Melting Point | 50-55°C |
| Flash Point | 110°C |
| Solubility | H2O: soluble0.1g/10 mL, clear, colorless to very faintly yellow |
| Appearance | Solid |
| Color | Crystals |
| BRN | 3579193 |
| Storage Condition | 2-8°C |
| MDL | MFCD00011768 |
| Physical and Chemical Properties | Appearance: yellow colloidal body at room temperature, stable, non-irritating |
| Use | As a Disinfection preservative in medicine, it is used for Hand Sanitization before surgery, Disinfection for skin and Disinfection for medical devices, and as a biocide and algicide in industrial water treatment. |
7281-04-1 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | BO7875000 |
| HS Code | 29239000 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | LD50 orl-rat: 250 mg/kg RPZHAW 17,543,66 |
7281-04-1 - Reference
| Reference Show more | 1. Wang, Fangyuan, et al. "Facile nose-to-brain delivery of rotigotine-loaded polymer micelles thermosensitive hydrogels: In vitro characterization and in vivo behavior study." International journal of pharmaceutics 577 (2020): 119046.https://doi.org/10.1016/ 2. [IF=5.875] Fangyuan Wang et al."Facile nose-to-brain delivery of rotigotine-loaded polymer micelles thermosensitive hydrogels: In vitro characterization and in vivo behavior study."Int J Pharmaceut. 2020 Mar;577:119046 |
7281-04-1 - Nature
Open Data Verified Data
colorless or pale yellow solid or colloidal liquid. There is aromatic gas, bitter taste. There are typical cationic surfactant properties, soluble in water or ethanol. Stable nature, light-resistant, heat-resistant, non-volatile. There is a good dispersion, stripping sticky mud role.
Last Update：2024-01-02 23:10:35
7281-04-1 - Preparation Method
Open Data Verified Data
dodecyl dimethyl benzyl ammonium bromide was obtained from decanediol by bromination reaction and then reacted with N.N-= methyl phenyl tertiary amine.
Last Update：2022-01-01 09:29:30
7281-04-1 - Category
Authoritative Data Verified Data
pharmaceutical excipients, bacteriostatic agents.
Last Update：2024-01-02 23:10:35
7281-04-1 - Standard
Authoritative Data Verified Data
This product is a mixture of dimethyl benzyl ammonium bromide. The hydrocarbon-containing ammonium salt (C22H40BrN) should be between 95.0% and 105.0%, calculated as anhydrous.
Last Update：2024-01-02 23:10:35
7281-04-1 - Trait
Authoritative Data Verified Data
- This product is a yellow colloidal body at room temperature, and may gradually form a waxy solid at low temperature; The aqueous solution is alkaline reaction, and a large amount of foam is generated when shaking.
- This product is soluble in water or ethanol, slightly soluble in acetone, insoluble in ether.
Last Update：2022-01-01 13:33:23
7281-04-1 - Use
Open Data Verified Data
Non-oxidative biocide, slime stripper and cleaner. With a clean, bactericidal Disinfection and anti-algae effect, widely used in sterilization, Disinfection, anti-corrosion, emulsification, descaling, solubilization and so on. Its bactericidal activity is better than that of benzalkonium chloride, and its toxicity is lower than that of benzalkonium chloride. In general, it is used at a concentration of 50 to 100mg/L.
Last Update：2022-01-01 09:29:31
7281-04-1 - Differential diagnosis
Authoritative Data Verified Data
- take about 0.2g of this product, add 1 ml of sulfuric acid to dissolve it, add 0.lg of sodium nitrate, put it on a water bath for heating for 5 minutes, let it cool, add 10ml of water and 0.5g of zinc powder, put it on a water bath for 5 minutes; take 2ml of the supernatant, add 1 ml of 5% sodium nitrite solution, cool in an ice bath, and add 3ml of alkaline-naphthol test solution to show orange-red color.
- Take 10ml of 1% aqueous solution of this product and 0.5ml of dilute nitric acid to generate white precipitate, which is filtered and dissolved by adding ethanol. Identify reaction of bromide in filtrate (General rule 0301).
Last Update：2022-01-01 13:33:23
7281-04-1 - Safety
Open Data Verified Data
small toxicity, no cumulative toxicity, skin irritation, LD50 to fish 15mg/L. Should be sealed and protected from light.
Last Update：2022-01-01 09:29:31
7281-04-1 - Exam
Authoritative Data Verified Data
clarity and color of solution
take this product l. Add 100ml of exothermic water to dissolve, and the solution should be clear and colorless; If it is turbid, it should not be more concentrated compared with No. 1 turbidity standard solution (General rule 0902 method 1); If it is colored, comparison with yellow No. 2 Standard Colorimetric solution (General rule 0901 first method), not deeper.
ammonia compounds
take this product solution (2-100)5ml, put the test tube, add sodium hydroxide solution 3ml, heat boiling, ammonia odor should not occur.
Non-quaternary ammonium compounds
take 4.0g of this product, add water to dissolve and dilute to 100ml, take 25.0ML, set up a separatory funnel, add 25ml of chloroform and sodium hydroxide titration solution (0.1 mol/L) 10ml, Add 10ml of new 5% potassium iodide solution, shake, stand still to make layers, separate the water layer and wash with chloroform shaking for 3 times, 10ml each time, discard the chloroform layer, add hydrochloric acid 40ml to the water layer, cool down, add 50% potassium bromide solution 40ml, Titrate to light brown with potassium iodate titration solution (0.05mol/L), add chloroform 2ml, continue titration and shake vigorously until the red color of the chloroform layer disappears; Take another 25.0 of the remaining aqueous solution and put it in a separatory funnel. Add 25ml of chloroform and hydrochloric acid titration solution (0.1 mol/L) 10ml, according to the above method, from the "precision of the new 5% potassium iodide solution 10ml", according to the law. Before and after the two consumption of potassium gallate titration solution (0.05mol/L), the difference should not be greater than 0.5.
moisture
take this product, according to the determination of moisture (General 0832 first method 1), the water content shall not exceed 10.0%.
ignition residue
take l.Og of this product and check it according to law (General rule 0841). The residue left shall not exceed 0.1%.
Last Update：2022-01-01 13:33:24
7281-04-1 - Content determination
Authoritative Data Verified Data
take about 0.25g of this product, accurately weigh it, put it in a plug Erlenmeyer flask, add 50ml of water and 1 ml of sodium hydroxide test solution, shake well, add 0.4ml of bromophenol blue indicator solution and 10ml of chloroform, with Sodium tetraphenylborate titration solution (0.02mol/L) titration, near the end point must be strong shaking, chloroform layer of blue disappeared, that is. Each 1 ml of Sodium tetraphenylborate titration solution (0.02mol/L) corresponds to 7.969mg of C22H40BrN.
Last Update：2022-01-01 13:33:25
7281-04-1 - Category
Authoritative Data Verified Data
Disinfection antiseptic.
Last Update：2022-01-01 13:33:25
7281-04-1 - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 13:33:25
7281-04-1 - Benzalkonium Bromide Solution
Authoritative Data Verified Data
This product is an aqueous solution of benzalkonium bromide, and the hydrocarbon-containing ammonium salt is calculated as C22H40BrN and should be 4.75% ~ 5.25%.
trait
This product is colorless to light yellow clear liquid; Gas fragrance; Strong shaking occurs a lot of foam. Turbidity or precipitation may occur at low temperatures.
identification
6mL of this product was taken and dried by evaporation on a water bath. The residue showed the same reaction according to the identification test of benzalkonium bromide.
examination
- the amount of this product, according to the law to check (General 0942), should comply with the provisions.
- microbial limit this product is taken as non-sterile product microbial limit test: microbial count method (General 1105) and control bacteria test (General 1106) and non sterile products microbial limit standard (General 1107) inspection, should comply with the provisions.
Content determination
precision take 5ml of this product, according to the content of benzalkonium bromide determination method under the item, that is obtained.
category
with benzalkonium bromide.
specification
5%
storage
light shielding, closed storage.
Last Update：2022-01-01 13:33:26
7281-04-1 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | benzalkonium bromide, also known as neoglucinamide and benzylammonium bromide, is a quaternary ammonium cationic surfactant broad-spectrum bactericide, it has the characteristics of strong and fast sterilization, low toxicity, no irritation to skin and tissue, strong penetration, no corrosion to metal and rubber products. benzalkonium bromide can effectively kill a variety of non-spore pathogenic Gram-positive bacteria, negative bacteria and some fungi. It has strong infiltration permeability and helps to eliminate bacteria that have just entered the tissue; no corrosive and irritant, no damage to the tissue, does not affect tissue healing, does not increase scar formation, no systemic side effects. |
| pharmacological action | This product is a cationic surfactant fungicide. Can reduce the surface tension, so that fat emulsification, so there is a clean decontamination effect; And can change the permeability of the cell membrane, so that some important cytoplasmic material extravasation, obstruction of its metabolism leads to bacterial death. This product is effective against gram-positive bacteria and negative bacteria (but ineffective against Pseudomonas aeruginosa, acid-fast bacilli and bacterial spores), with low toxicity, strong and fast decontamination effect and strong bactericidal power, no skin irritation and corrosion effect. |
| product features | 1. Benzalkonium bromide is a cationic surfactant with good surface activity, the bacteria such as pyogenic bacteria, intestinal bacteria have better killing ability, benzalkonium bromide to gram-positive bacteria than gram-negative bacteria. 2. Through its positive charge and the negatively charged group on the microbial cell membrane, the product generates a valence bond, which generates a force on the cell membrane, leading to lysis and cell death; through the cell membrane into the microbial body, resulting in abnormal microbial metabolism, resulting in cell death. 3. The Disinfection effect of benzalkonium bromide was not affected by the external environment. In water stability, aromatic flavor, palatability, light, heat-resistant, non-volatile, long-term storage, there is a certain effect of descaling can be assured long-term use. Kill Virus of bacteria in water, and purify water. The bactericidal spectrum is extensive and has special effects on algae. 4, this product has a strong penetration, Disinfection thorough characteristics. 5, the product shake to produce foam, can effectively form a bactericidal film, lock the microbial directional killing. |
| drug interaction | 1. Incompatibility with soaps and other cationic surfactants, citrates, iodides, nitrates, permanganate, salicylates, silver salts, tartrates and alkaloids. 2. There is incompatibility with aluminum, sodium fluorescein, hydrogen peroxide, White Clay, hydrous lanolin and some sulfa drugs. |
| Use | This product has excellent bactericidal power and detergency. No corrosive effect on metal, no pollution of clothing. It is used as a disinfectant in medicine. It is used as a bactericide for water injection in oil fields. antiseptic disinfectant. Can be combined with other disinfectants, fungicides. dodecyl dimethyl benzyl ammonium bromide is a quaternary ammonium salt type cationic surfactant, with decontamination and sterilization ability, China can be used for the preservation of vegetables and fruits, the maximum amount used was 0.07g/kg. This product is a commonly used cationic surfactant, which has both bactericidal and detergent effect, strong and fast effect, no corrosive effect on metal products, no pollution of clothes, stable nature, easy to store, used as a Disinfection preservative in medicine. The product has low toxicity, no irritation to tissues and no cumulative toxicity. Oral LD50 for rats was 15.0 mg/kg; LD50 for fish was ppm. Disinfection preservative in medicine, used in pre-surgery Hand Sanitization, skin Disinfection and medical devices Disinfection, used as biocide in industrial water treatment, etc. Biochemical research. Commonly used cationic surfactant, both sterilization and detergent effect, the role of strong and fast, no corrosive effect on metal products, do not contaminate clothes, stable nature, easy to save, low toxicity, no irritation to tissues, no cumulative toxicity cationic surfactant, Disinfectants, emulsifiers. |
| production method | 1-bromododecane is produced from decanediol-(1) as a raw material by bromination, followed by N,N-dimethylbenzylamine into quaternary ammonium salt, namely benzalkonium bromide. 1-dodecane bromide can be prepared from decanediol in the presence of hydrobromic acid and sulfuric acid. 2. Into a quaternary ammonium salt of dodecyl bromide and dimethyl benzylamine, available benzalkonium bromide. The decanediol was placed in a reaction kettle, heated and melted, stirred, and sulfuric acid was added while cooling. Then add hydrobromic acid, gradually warm up, and react at 90~95 deg C for 8H; After cooling and standing to the acid layer, with dilute alkali solution will be neutralized to Ph 8. After washing with ethanol twice, the mixture was distilled under reduced pressure, and a fraction of 140 to 200 ° C. (3.33kPa), I .e., a bromododecane hydrocarbon, was collected in a yield of 90%. The bromododecane and dimethylbenzylamine were successively added to the reaction vessel, and heated to 80 ° C. For 6H (temperature not exceeding 110 ° C.) to obtain the product. It is obtained by reacting decanediol with hydrogen bromide in sulfuric acid solution to generate dodecane bromide, and then synthesizing it with N,N'-dimethylbenzylamine produced by the reaction of benzyl chloride and dimethylamine. It can also be synthesized from decanediol and dimethylamine to get the tertiary amine of dodecylamine and then with benzyl bromide. 186 of decanediol was added to the reaction kettle, stirring was started, and 250 of sulfuric acid was slowly added under cooling. After completion of the addition, the mixture was stirred for 1 h, then 121 of sodium bromide was added, and the temperature was gradually raised to 90-95 ° C. After 8 h of reaction, the acid solution was separated by standing. The oil layer is crude bromododecane. Transfer it to the neutralization kettle with a pump, add dilute alkali solution to adjust the pH value to about 8, separate the alkali solution, wash it twice with 50% ethanol, and collect 140~200 ℃ (9 kPa) by vacuum distillation. The fraction was refined bromododecane. The yield was more than 90%. Into the quaternization kettle, add 120 dimethyl benzyl amine, slowly raise the temperature to 100~110 ℃, keep the reaction for 6 h, obtain the objective product, the yield is more than 95%. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 250 mg/kg; Intraperitoneal-rat LD50: 90 mg/kg |
| flammability hazard characteristics | flammability; Toxic NOx, ammonia and bromide fumes from combustion |
| storage and transportation characteristics | ventilation and low temperature drying; Separate storage |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-10 22:29:15
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Product Name: Benzyldodecyldimethylammonium bromide Request for quotationCAS: 7281-04-1
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Multiple Specifications
Product Name: Benzyldodecyldimethylammonium bromide Request for quotationCAS: 7281-04-1
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CAS: 7281-04-1
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