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
Canonical 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

Safety Information

Hazards
H301:
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.

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

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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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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