8.43983

Benzethonium chloride

for synthesis

• 别名: Benzethonium chloride, N-Benzyl-N,N-dimethyl-N-[4-(1.1.3.3-tetramethylbutyl)-phenoxyethoxyethyl]ammonium chloride, Benzethonium chloride
• 经验公式（希尔记法）: C₂₇H₄₂ClNO₂
• CAS号: 121-54-0
• 分子量: 448.08
• MDL號碼: MFCD00011742
• 分類程式碼代碼: 12352101
• 酶委員會索引編號: 204-479-9
• NACRES: NA.22

属性

• 蒸汽壓力: <0.001 hPa ( 25 °C)
• 品質等級: 200
• 形狀: solid
• 自燃溫度: 380 °C
• 效力: 295 mg/kg LD₅₀, oral (Rat)
• pH值: 5-6.5 (10 g/L in H₂O)
• mp: 160-166 °C
• 體積密度: 440 kg/m³
• 儲存溫度: 15-25°C
• SMILES 字串: [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 密鑰: UREZNYTWGJKWBI-UHFFFAOYSA-M

说明

應用

• 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).

安全信息

• 象形圖: GHS05,GHS06,GHS09
• 訊號詞: Danger
• 危險聲明: H301 - H314 - H410
• 防範說明: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 危險分類: Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• 儲存類別代碼: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• 水污染物質分類（WGK）: WGK 2