8.43983

Benzethonium chloride

for synthesis

• Synonyma: Benzethonium chloride, N-Benzyl-N,N-dimethyl-N-[4-(1.1.3.3-tetramethylbutyl)-phenoxyethoxyethyl]ammonium chloride, Benzethonium chloride
• Empirický vzorec (Hillův zápis): C₂₇H₄₂ClNO₂
• Číslo CAS: 121-54-0
• Molekulová hmotnost: 448.08
• UNSPSC Code: 12352101
• EC Index Number: 204-479-9
• NACRES: NA.22
• MDL number: MFCD00011742

Vlastnosti

• vapor pressure: <0.001 hPa ( 25 °C)
• Quality Level: 200
• form: solid
• autoignition temp.: 380 °C
• potency: 295 mg/kg LD₅₀, oral (Rat)
• pH: 5-6.5 (10 g/L in H₂O)
• mp: 160-166 °C
• bulk density: 440 kg/m³
• storage temp.: 15-25°C
• SMILES string: [Cl-].[N+](CCOCCOc2ccc(cc2)C(CC(C)(C)C)(C)C)(Cc1ccccc1)(C)C
• InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
• InChI key: UREZNYTWGJKWBI-UHFFFAOYSA-M

Popis

Application

• Development of biologically active ionic liquids: Research highlighted the synthesis of new ionic liquids incorporating the benzethonium cation, which show promising SAR induction and antimicrobial properties, potentially useful in pest management and disease control applications (Czerwoniec et al., 2024).

Bezpečnostní informace

• pictograms: GHS05,GHS06,GHS09
• signalword: Danger
• hcodes: H301 - H314 - H410
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• Skladovací třída: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2