N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide

Basic Information

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CAS Number

538-71-6

Molecular Formula

C22H40BrNO

Molecular Weight

414.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

117-119 °C

Boiling Point

°Cat760mmHg

Water Solubility

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

Refractive Index

1.5570 (estimate)

SMILES

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[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1

InChI

InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey

OJIYIVCMRYCWSE-UHFFFAOYSA-M

LogP

3.06670

Complexity

271

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Hygroscopic

Synonyms & References

English

domiphen bromide
dodecyl-dimethyl-(2-phenoxyethyl)azanium,bromide
Domiphen (bromide)
(Dodecyldimethyl-2-phenoxyethyl)ammonium bromide
Dodecyldimethyl-2-Phenoxyethylammonium Bromide
Fungitex
Bradasol
Bradonit
Bradoral
Oradol
Phenododecinium bromide
Bradosol bromide
Fungitex R
1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
Domipheni bromidum [INN-Latin]
Bromuro de domifeno [INN-Spanish]
Bromure de domiphene [INN-French]
R4CY19YS7C
Dodecyldimethyl(2-phenoxyethyl)ammonium bromide
beta-Phenoxyethyldimethyldode
DomiphenBromide
Domiphen bromide
N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium
bromide (1:1)

MDL Number

MFCD00011769

Customs Code

2942000000

FAQ

What is N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6)?

N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) is a quaternary ammonium compound with bromide as the counterion. Its chemical formula is C18H34BrNO, featuring a dodecanamine backbone substituted with dimethyl and phenoxyethyl groups. It is typically a white to off-white solid with surfactant properties, used in specialized chemical applications due to its amphiphilic nature and stability in aqueous solutions.

What are the main uses of N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6)?

N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) is primarily used in pharmaceutical formulations as a cationic surfactant and antimicrobial agent. In industrial settings, it serves as a component in polymer synthesis and as a catalyst. It may also find applications in research for organic synthesis and as a stabilizer in certain chemical processes, leveraging its unique molecular structure and reactivity.

Is N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) safe?

N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) is generally considered safe when handled properly. However, it may cause mild irritation if inhaled or contacted with skin. Safety guidelines recommend using protective gloves, eye protection, and ensuring adequate ventilation. Always follow OSHA and EPA standards for chemical handling to minimize risks.

How should N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) be stored?

Store N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium bromide (CAS: 538-71-6) in a cool, dry place away from light. Maintain temperature below 25°C and humidity levels below 60% to ensure stability. Use airtight, corrosion-resistant containers, and keep it separate from incompatible substances. Proper storage prevents degradation and maintains its chemical integrity.