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Cas Database

Name	Domiphen bromide	EINECS	208-702-0
CAS No.	538-71-6	Density	1.1411 (rough estimate)
PSA	9.23000	LogP	3.06670
Solubility	Soluble in ethanol, acetone, ethyl acetate, chloroform and water. Slightly soluble in benzene.	Melting Point	117-119 °C(lit.)
Formula	C₂₂H₄₀NO^.Br	Boiling Point	N/A
Molecular Weight	414.47	Flash Point	N/A
Transport Information	UN 2811 6.1/PG 3	Appearance	N/A
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	1-Dodecanaminium,N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (9CI);Ammonium, dodecyldimethyl(2-phenoxyethyl)-,bromide (8CI);Dodecyldimethyl(2-phenoxyethyl)ammonium bromide (6CI,7CI);(b-Phenoxyethyl)dimethyldodecylammoniumbromide;Bradonit;Bradoral;Bradosol;Bradosol bromide;Domiphen bromide;Fungitex;Fungitex R;Modicare;N-Dodecyl-N-(2-phenoxyethyl)dimethylammoniumbromide;NSC 39415;Neo-Bradoral;Oradol;PDDB;Phenododecinium bromide;	Article Data	2

Domiphen bromide Synthetic route

: 13468-02-5
dimethyl(2-phenoxyethyl)amine

: 143-15-7
1-dodecylbromide

: 538-71-6
domiphen brominde

: 124-22-1
n-Dodecylamine

: 589-10-6
phenoxyethyl bromide

: 538-71-6
domiphen brominde

Conditions

Conditions	Yield
With methyl bromide; formaldehyd; formic acid

: 112-18-5
N,N-dimethylaminododecane

: 589-10-6
phenoxyethyl bromide

: 538-71-6
domiphen brominde

Conditions

Conditions	Yield
With ethyl acetate
With acetone
With water

: 538-71-6
domiphen brominde

: 1918-00-9
3,6-dichloro-2-methoxybenzoate sodium salt

: dodecyldimethylphenoxyethylammonium 3,6-dichloro-2-methoxybenzoate

Conditions

Conditions	Yield
In water	99.5%

: 16484-77-8
(R)-Mecoprop

: 538-71-6
domiphen brominde

: 1354725-99-7
domiphen (+)-(R)-2-(4-chloro-2-methylphenoxy)propionate

Conditions

Conditions	Yield
Stage #1: (R)-Mecoprop With potassium hydroxide In water at 39.84℃; Stage #2: domiphen brominde In water for 24h;	99%

: 94-74-6
MCPA

: 538-71-6
domiphen brominde

: 1082249-07-7
domiphen (4-chloro-2-methylphenoxy)acetate

Conditions

Conditions	Yield
With sodium hydroxide In water for 2h;	98%

: 538-71-6
domiphen brominde

: 147-85-3
L-proline

: C22H40NO(1+)*C5H8NO2(1-)

Conditions

Conditions	Yield
With potassium hydroxide In water at 59.84℃; for 12h;	92%

: 1071-83-6
N-(phosphonemethyl)glycine

: 538-71-6
domiphen brominde

: bis(N,N-dimethyl-N-dodecyl-N-phenoxyethylammonium) glyphosate

Conditions

Conditions	Yield
Stage #1: domiphen brominde With potassium hydroxide In 1,4-dioxane at 25℃; for 6h; Stage #2: N-(phosphonemethyl)glycine In 1,4-dioxane at 25℃; for 6h;	92%

Domiphen bromide Chemical Properties

1.IUPAC Name: Dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide
2.Synonyms： Domiphen bromide ; Oradol ; Bradasol ; Bradonit ; Bradoral ; Fungitex ; Bradosol bromide ; Fungitex R ; Phenododecinium bromide ; Oradol (TN) ; Domipheni bromidum [INN-Latin] ; HSDB 7236 ; 247480_ALDRICH ; Bromure de domiphene [INN-French] ; Bromuro de domifeno
3.The Molecular Formula of Dodecyldimethyl(2-phenoxyethyl)ammonium bromide (538-71-6) :C₂₂H₄₀BrNO
4.The Molecular Weight of Dodecyldimethyl(2-phenoxyethyl)ammonium bromide (538-71-6) : 414.46g/mol
5.The Molecular Structure of Dodecyldimethyl(2-phenoxyethyl)ammonium bromide (538-71-6)：
6.Melting Point:117-119 °C(lit.)
7.Topological Polar Surface Area: 9.2

Domiphen bromide Uses

1. Dodecyldimethyl(2-phenoxyethyl)ammonium bromide (538-71-6) is used widely in the ENT.
2. This item can be used as antiseptic and active pharmaceutical ingredient.

Domiphen bromide Toxicity Data With Reference

1.	add-bac-esc 10 µmol/L	MUREAV Mutation Research. 89 (1981),95.
2.	ipr-rat LD50:40 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 6 (1947),307.
3.	ivn-rat LD50:18 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 6 (1947),307.
4.	ivn-mus LD50:31 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 6 (1947),307.
5.	ivn-rbt LDLo:11 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 6 (1947),307.
6.	ipr-gpg LDLo:10 mg/kg	HBTXAC Handbook of Toxicology, Volumes I-V. 1 (1956),222.

Domiphen bromide Consensus Reports

Reported in EPA TSCA Inventory.

Domiphen bromide Safety Profile

Poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Br⁻. See also BROMIDES.
Hazard Codes : Xi
Risk Statements : 36/37/38
R36/37/38 : Irritating to eyes, respiratory system and skin
Safety Statements : 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany : 3

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