12060

Benzalkonium chloride

≥95.0% ((calculated on dry substance), T)

• Synonym(s): Alkylbenzyldimethylammonium chloride, Alkyldimethylbenzylammonium chloride
• Linear Formula: C₆H₅CH₂N(CH₃)₂RCl (R=C₈H₁₇ to C₁₈H₃₇)
• CAS Number: 63449-41-2
• Beilstein/REAXYS Number: 4062599
• EC Number: 264-151-6
• MDL number: MFCD00145757
• UNSPSC Code: 12352101
• NACRES: NA.22

Properties

• description: cationic
• Quality Level: 200
• assay: ≥95.0% ((calculated on dry substance), T)
• form: semisolid
• composition: benzyldimethyldodecylammonium chloride, ~70% (Purity (HPLC Area %)); benzyldimethyltetradecylammonium chloride, ~30% (HPLC Minor Component (Area %))
• impurities: ≤10% water
• ign. residue: ≤0.1% (as SO₄)
• SMILES string: [Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
• InChI: 1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
• InChI key: TTZLKXKJIMOHHG-UHFFFAOYSA-M

Description

General description

Benzalkonium chloride is a quaternary ammoniumcompound (QAC) that is most commonly used as a phase transfer catalyst,cationic surfactant, and biocide. It has shown promising applications inchemical synthesis, catalysis, and drug discovery.

Application

Benzalkonium chloride has been used as a:

• Modifier for montmorillonite clay, enabling the synthesis of eco-friendly and proficient heterogeneous nano-catalysts for green synthesis of 5-substituted 1H-tetrazoles
• Precursor for the synthesis of alkaline ionic liquids, which have been employed as supported ionic liquid catalysts (SILCAs)
• Catalyst in the synthesis of functionalized quinoxalines in water

Disclaimer

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302 + H312,H314,H410
• pcodes: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges