CAS 7281-04-1 Benzyldodecyldimethylammonium bromide

Synonyms

Benzyldimethyldodecylammonium bromide

IUPAC Name

benzyl-dodecyl-dimethylazanium;bromide

Molecular Weight

384.44

Molecular Formula

C21H38BrN

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

≥96.5%

Appearance

Powder

Storage

2-8°C

Assay

0.98

Complexity

240

Covalently-Bonded Unit Count

EC Number

230-698-4

Exact Mass

383.21876

Formal Charge

H-Bond Acceptor

Heavy Atom Count

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

MDL Number

MFCD00011768

Monoisotopic Mass

383.21876

Physical State

Light yellow liquid or paste

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

UNII

IRY12B2TQ6

Application

Benzyldodecyldimethylammonium bromide serves as a versatile cationic surfactant with several important applications. Primarily, it is utilized to explore the relationship between chemical structure and germicidal efficacy in surface-active cations, indicating its significance in studies aimed at enhancing disinfectant properties. Additionally, this compound plays a crucial role in the synthesis of macroporous thermosensitive poly(N-isopropylacrylamide) hydrogels, where it facilitates pore size control. Beyond these research-focused applications, benzyldodecyldimethylammonium bromide is recognized within the benzalkonium bromide family for its use as a preservative in ophthalmic, nasal, and parenteral products, as well as a topical antiseptic and disinfectant for medical equipment. Furthermore, it has the potential to act as an adsorbent for certain metals like chromium (VI), showcasing its utility in various chemical processes.

March 25, 2025

Versatile and Effective Cationic Surfactant

Benzyldodecyldimethylammonium bromide is excellent for research. It performed well in controlling pore size in hydrogel synthesis. Its germicidal properties are highly effective. Highly recommend for scientific applications!