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538-71-6

538-71-6 Structure

538-71-6 Structure
IdentificationMore
[Name]

Domiphen bromide
[CAS]

538-71-6
[Synonyms]

(DODECYLDIMETHYL-2-PHENOXYETHYL)-AMMONIUM BROMIDE
DOMIPHEN
DOMIPHEN BROMIDE
LABOTEST-BB LT00847867
beta-phenoxyethyldimethyldodecylammoniumbromide
bradasol
bradonit
bradoral
bradosol
bradosolbromide
dimethyldodecyl(2-phenoxyethyl)-ammoniubromide
dodecyldimethyl(2-phenoxyethyl)-ammoniubromide
dodecyldimethyl(2-phenoxyethyl)-ammoniumbromid
fungitex
fungitexr
n,n-dimethyl-n-(2-phenoxyethyl)-1-dodecanaminiubromide
nsc-39415
oradol
pddb
DOMOPHEN BROMIDE
[EINECS(EC#)]

208-702-0
[Molecular Formula]

C22H40BrNO
[MDL Number]

MFCD00011769
[Molecular Weight]

414.46
[MOL File]

538-71-6.mol
Chemical PropertiesBack Directory
[Melting point ]

117-119 °C (lit.)
[density ]

1.1411 (rough estimate)
[refractive index ]

1.5570 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

Soluble in ethanol, acetone, ethyl acetate, chloroform and water. Slightly soluble in benzene.
[Sensitive ]

Hygroscopic
[Merck ]

14,3415
[BRN ]

3922742
[InChIKey]

OJIYIVCMRYCWSE-UHFFFAOYSA-M
[CAS DataBase Reference]

538-71-6(CAS DataBase Reference)
[EPA Substance Registry System]

538-71-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

BQ2030000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[Safety Profile]

Poison by intraperitoneal and intravenous routes. hfutauon data reported. When heated to decomposiuon it emits very toxic fumes of NOx, NH3, and Br-. See also BROMIDES.
[Hazardous Substances Data]

538-71-6(Hazardous Substances Data)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(Dodecyldimethyl-2-phenoxyethyl)ammonium bromide(538-71-6).msds
Hazard InformationBack Directory
[Description]

Domiphen is a quaternary ammonium compound and cationic surfactant with antimicrobial activity. It is active against A. viscosus, A. naeslundii, S. mutans, E. coli, and L. monocytogenes bacteria and inhibits C. neoformans yeast growth and spore germination. It also inhibits the human-ether-a-go-go-related gene (hERG) channel (IC50 = 1.5 μM in a whole-cell patch-clamp assay). Formulations containing domiphen have been used as antiseptics, disinfectants, and biocides in industrial, agricultural, veterinary, and clinical applications.
[Originator]

Bradosol,Ciba,US,1958
[Uses]

Antiinfective, topical.
[Uses]

Domiphen bromide is employed as a phase transfer catalyst in synthetic chemistry. It is used as a quaternary ammonium cation with cationic surfactant properties. Further, it is used as an antiseptic and an active pharmaceutical ingredient.
[Definition]

ChEBI: Domiphen bromide is an aromatic ether.
[Manufacturing Process]

7 parts of β-phenoxyethyl-dimethylamine are heated for 2 hours on the boiling water-bath with 11 parts of dodecyl bromide. A good yield of β-phenoxy-ethyldimethyl-dodecyl-ammonium bromide is obtained which, after recrystallization from acetone, melts at 112°C. It is a white crystalline powder which dissolves easily in water to give a neutral reaction.
[Therapeutic Function]

Topical antiinfective
Spectrum DetailBack Directory
[Spectrum Detail]

Domiphen bromide(538-71-6)1HNMR
Domiphen bromide(538-71-6)13CNMR
Domiphen bromide(538-71-6)IR1
Domiphen bromide(538-71-6)IR2
Domiphen bromide(538-71-6)Raman
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