Benzyldimethyldodecylammonium chloride 苄基十二烷基二甲基氯化铵

CAS 139-07-1 MFCD00137276

化学结构图

139-07-1
SMILES: CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]

化学属性

Mol. FormulaC21H38ClN
Mol. Weight339.99
Density1.422
Melting Point42 °C
TSCAYes
Appearance 十二烷基二甲基苄基氯化铵(139-07-1)为无色或浅黄色粘稠透明液体。与水互溶。略有苦杏仁味。稳定性良好，能耐热、耐光、 耐压，无挥发性。
Stability易吸湿
Boiling Point162.7 °C at 760 mmHg

别名和识别编码

Chemical NameBenzyldimethyldodecylammonium chloride
CAS Number139-07-1
Synonym Lauryl benzalkonium (chloride) {LY} Lauryl benzalkonium (chloride) {} {LY} Lauryl benzalkonium (chloride) {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Lauryl benzalkonium (chloride) {} {} {} {} {} {} {} {} {} {
EC Number205-351-5
Beilstein Registry Number3921689
MDL NumberMFCD00137276
PubChem Substance ID8753
Chemical Name Translation苄基十二烷基二甲基氯化铵
Reaxys-RN3921689
Wiswesser Line Notation12K1&1&1R &G
LabNetwork Molecule IDLN00190688
InChIInChI=1S/C21H38N.ClH/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
Canonical SMILESC[N+](C)(CCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-]
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分类

  • {SNA} cationic
  • {SNA} Ammonium Salts, Cationic Detergents, Chemical Synthesis, Detergents A to M, Phase Transfer Catalysts, Synthetic Reagents, 去垢剂, 生化试剂
  • {SNA} Ammonium Salts, Biochemicals and Reagents, Cationic Detergents, Chemical Synthesis, Detergents, Detergents A to M, Phase Transfer Catalysts, Synthetic Reagents
  • {SNA} Ammonium Salts, Cationic Detergents, Chemical Synthesis, Detergents, Detergents A to M, Phase Transfer Catalysts, Synthetic Reagents
  • Intermediates & Fine Chemicals
  • Aromatics
  • Pharmaceuticals

产品应用

  • 本品毒性小，无积累性毒性，并易溶于水，并不受水硬度影响，因此广泛应用于石油、化工、电力、纺织等行业的循环冷却水系统中，用以控制循环冷却水系统菌藻滋生，对杀灭硫酸盐还原菌有特效。
  • 本品可作为纺织印染行业的杀菌防霉剂及柔软剂、抗静电剂、乳化剂、调理剂等。

相关文献及参考

  • Berr, S., et al.: J. Phys. Chem., 91, 4760
  • Beilstein: 12,IV,2167

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
Safety Statements
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R50 Very toxic to aquatic organisms 对水生生物极毒
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
  • H302+H312
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSBO6821500
Packing GroupIII
UN Number 3261
Hazard Codes 8 C,N
Hazard Class8
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,490,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,490,1986

其他信息

  • 用途二:本品毒性小，无积累性毒性，并易溶于水，并不受水硬度影响，因此广泛应用于石油、化工、电力、纺织等行业的循环冷却水系统中，用以控制循环冷却水系统菌藻滋生，对杀灭硫酸盐还原菌有特效。本品可作为纺织印染行业的杀菌防霉剂及柔软剂、抗静电剂、乳化剂、调理剂等。
  • 刺激数据:皮肤-兔子 1 毫克/24小时 中度; 眼睛-兔子 1 毫克 中度
  • MOL 文件:139-07-1.mol
  • 毒性分级:高毒
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和氯化物烟雾
  • 下游产品:柔软剂TC --> 柔软剂 FS --> 表面活性剂1727
  • Sigma Aldrich:139-07-1(sigmaaldrich)
  • 上游原料:碳酸钠 --> 苄基氯 --> 三乙醇胺 --> 十二醇
  • 储运特性:通风低温干燥
  • F:3-10
  • 急性毒性:口服-大鼠 LD50: 400 毫克/公斤; 腹腔-大疏9 LD50; 100 毫克/公斤
  • 本品是一种含有十二烷基的季胺盐，阳离子表面活性剂，是一种属非氧化性杀菌剂，具有广谱、高效的杀菌灭藻能力，能有效地控制水中菌藻繁殖和粘泥生长，并具有良好的粘泥剥离作用和一定的分散、渗透作用，同时具有一定的去油、除臭能力和缓蚀作用。
  • 用途一:用作腈纶匀染剂、印染织物缓染剂、油田油井杀菌剂、冷却水系统杀菌灭藻剂、医疗器械消毒剂等
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类

  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Cationic Detergents - Detergents
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  4. Ammonium Salts - Phase Transfer Catalysts
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amine Salts - Nitrogen Compounds
  1. Functional Group 官能团索引
  2. quaternary ammonium salt

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