Benzalkonium Bromide
Product Information
Molecular Formula
C21H38BrN
Molecular Weight
384.44
Description
Benzalkonium Bromide is a cationic surfactant used as a preservative for ophthalmic, nasal and parenteral products. It can be used as a disinfectant and antiseptic, and used to disinfect surgical instruments, skin and wounds.
Synonyms
Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1); Ammonium, benzyldodecyldimethyl-, bromide; Benzyldodecyldimethylammonium bromide; AACL 6; Amonyl BR 1244; Bacfor BL; Benzododecinium bromide; Benzyldimethyldodecylammonium bromide; Benzyldimethyllaurylammonium bromide; Benzyllauryldimethylammonium bromide; Cequartyl 50; Dimethylbenzyldodecylammonium bromide; Dimethylbenzyllaurylammonium bromide; Dimethyldodecylbenzylammonium bromide; Dimethyllaurylbenzylammonium bromide; Dodecylbenzyldimethylammonium bromide; Dodecyldimethylbenzylammonium bromide; Lauralkonium bromide; Lauryldimethylbenzylammonium bromide; N,N-Dimethyl-N-benzyldodecylammonium bromide; N,N-Dimethyl-N-dodecylbenzylammonium bromide; N-Benzyl-N,N-dimethyl-N-dodecylammonium bromide; Sinnoquat BL 80; Sinnoquat BL 95; Sterinol; Xinjieermie
IUPAC Name
benzyl-dodecyl-dimethylazanium;bromide
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
InChI
InChI=1S/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
InChI Key
KHSLHYAUZSPBIU-UHFFFAOYSA-M
Melting Point
50-55°C
Flash Point
110°C
Purity
>97.0%(T)
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance
White to Off-white Low-melting Solid
Application
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.
Storage
Store at 2-8°C
Related CAS
10328-35-5 (free base)
Safety Information
Hazards
H301:
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
13
Exact Mass
383.21876 g/mol
Monoisotopic Mass
383.21876 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
240
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114190400-A | Silicon nitride disinfection spray | 2022-02-17 |
| CN-114032551-A | Preparation method of ternary composite quaternary ammonium salt corrosion inhibitor | 2022-01-12 |
| CN-114028329-A | Eye drop preparation containing combined bacteriostat and product containing eye drop preparation | 2021-12-24 |
| CN-114145293-A | Composite disinfectant containing natural plant extracts and preparation method thereof | 2021-12-23 |
| CN-113975343-A | High-efficiency sterilization and bacteriostasis traditional Chinese medicine spray | 2021-12-21 |
| CN-114164059-A | Cleaning agent for medical instruments and preparation method thereof | 2021-12-21 |
| CN-114182547-A | Short-process cleaning and dyeing method for chinlon/silk mixed fabric | 2021-12-21 |
| CN-114097819-A | Preparation of nano-silver synergistic oxone disinfectant | 2021-12-17 |
| CN-114177280-A | Eye lotion containing stable antioxidant enzyme and preparation method thereof | 2021-12-17 |
| CN-114177341-A | Preparation method of antibacterial medical foam dressing | 2021-12-17 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21393196 | 2011-05-01 | Physiological changes induced by the quaternary ammonium compound benzyldimethyldodecylammonium chloride on Pseudomonas fluorescens | The Journal of antimicrobial chemotherapy |
| 20550489 | 2010-12-01 | Short-term comparative study of the effects of preserved and unpreserved topical levofloxacin on the human ocular surface | Cutaneous and ocular toxicology |
| 19937490 | 2010-01-01 | Biofouling control using microparticles carrying a biocide | Biofouling |
| 16426777 | 2006-03-27 | Release characteristics of anionic drug compounds from liquid crystalline gels. Part II. The effects of ion pairing and buffering on the passive delivery of anionic drugs across non-rate-limiting membranes | International journal of pharmaceutics |
| 15871274 | 2005-04-01 | Water purification from organic pollutants by optimized micelle-clay systems | Environmental science & technology |
| 15895969 | 2005-03-01 | [Preformulation studies of potential drug XIX M: partition coefficient] | Ceska a Slovenska farmacie : casopis Ceske farmaceuticke spolecnosti a Slovenske farmaceuticke spolecnosti |
| 15455811 | 2004-08-01 | Adverse drug reactions in Canada. Hematologic reactions to sterol and sterolin-containing products | Canadian family physician Medecin de famille canadien |
| 15250425 | 2004-06-11 | Analysis of benzyldimethyldodecylammonium bromide in chemical disinfectants by liquid chromatography and capillary electrophoresis | Journal of chromatography. A |
| 15028484 | 2004-04-15 | Effect of alcohol addition to the aqueous phase on the thermal effects of micellization of cationic benzyldimethyldodecylammonium bromide and its adsorption onto porous and nonporous silicas | Journal of colloid and interface science |
| 15108714 | 2004-04-13 | Sterol and sterolin-containing products: hematologic adverse reactions | CMAJ : Canadian Medical Association journal = journal de l'Association medicale canadienne |
