Benzalkonium Bromide

Name: Benzalkonium Bromide
Brand: BOC Sciences
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Molecular Formula:

C21H38BrN

Molecular Weight:

384.44

CAS Number:

7281-04-1

Catalog Number:

7281-04-1

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

383.21876 g/mol

Monoisotopic Mass

383.21876 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

240

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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