Benzyldodecyldimethylammonium Bromide 十二烷基二甲基苄基溴化铵

CAS 7281-04-1 MFCD00011768

化学结构图

7281-04-1
SMILES: CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]

化学属性

Mol. FormulaC21H38BrN
Mol. Weight384.44
Melting Point38-43 °C
Flash Point110 °C
Appearance 本品为无色或淡黄色固体或胶体。熔点46～48℃，闪点（Fp）大于110℃。易溶于水或乙醇，有芳香味，味极苦。强力振摇时产生大量泡沫。

别名和识别编码

Chemical NameBenzyldodecyldimethylammonium Bromide
CAS Number7281-04-1
Synonym Benzalkonium (bromide) {LY} Benzalkonium (bromide) {} {LY} Benzalkonium (bromide) {} {} {LY} Benzalkonium (bromide) {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalkonium (bromide) {} {} {} {} {} {} {} {}
MDL NumberMFCD00011768
EC Number230-698-4
Beilstein Registry Number3579193
PubChem Substance ID23705
Reaxys-RN3579193
Chemical Name Translation十二烷基二甲基苄基溴化铵
Wiswesser Line Notation12K1&1&1R &E
LabNetwork Molecule IDLN00201625
InChIInChI=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
Canonical SMILESCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
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分类

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

产品应用

  • Benzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and me

相关文献及参考

  • Maitani, Y., et al.: Chem. Pharm. Bull., 44, 403

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSBO7875000
Signal word Danger
Hazard Codes Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
UN Number UN 2811 6.1/PG 3 2811
Packing GroupIII
Hazard Class6.1
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 sto 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 90 mg/kg
TOXIC EFFECTS :
   Vascular - structural changes in vessels
REFERENCE :
   BCTKAG Bromatologia i Chemia Toksykologiczna.  (Ars Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.4-    1971-  Volume(issue)/page/year: 7,161,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 277 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   40,273,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPZHAW Roczniki Panstwowego Zakladu Higieny.  (Ars Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.1-    1950-  Volume(issue)/page/year: 17,543,1966

Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
  • 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。
  • P302+P352+P332+P313+P362+P364

其他信息

  • Sigma Aldrich:7281-04-1(sigmaaldrich)
  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 下游产品:吉非罗齐 --> 对氯苯乙腈
  • 用途三:本品具有优异的杀菌力和去污力。对金属无腐蚀作用，不污染衣服。在医药上用作消毒剂。在油田用作注水杀菌剂。
  • 方法二:由十二醇在硫酸液中与溴化氢作用生成溴化十二烷，再与由氯化苄与二甲胺反应生成的N，N’-二甲基苄基胺合成而得。 也可由十二醇与二甲胺制得十二叔胺后，再与溴化苄合成而得。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 用途一:防腐消毒剂。可与其他消毒剂、杀菌剂配伍。
  • 所属类别一:食品添加剂: 防腐剂
  • 上游原料:溴 --> 一甲胺 --> 苄基氯 --> 溴化苄 --> 十二醇 --> 十二烷基二甲基叔胺 --> N,N-二甲基苄胺 --> 十二烷 --> 溴代十二烷 --> 二甲基苄胺
  • 方法四:由十二醇-（1）为原料，经溴化生成1-溴代十二烷，再与N,N-二甲基苄胺成季铵盐，即得苯扎溴铵。1.溴化 以十二醇为原料，在氢溴酸、硫酸存在的条件下，可制得1-溴化十二烷。2.成季铵盐 溴代十二烷加二甲基苄胺，可得苯扎溴铵。
  • 类别:有毒物品
  • 苯扎溴铵价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30017170 溴烃基二甲基代苯甲铵（新洁尔灭） 500ml 5元
  • 所属类别二:化工助剂: 工业表面活性剂: 阳离子表面活性剂
  • MOL 文件:7281-04-1.mol
  • 急性毒性:口服-大鼠 LD50: 250 毫克/公斤; 腹腔-大鼠 LD50: 90 毫克/公斤
  • 方法一:将十二醇置于反应釜，加热熔融，搅拌，边冷却边加入硫酸。然后加入氢溴酸，逐步升温，并在90~95℃下反应8h；冷却后静置分去酸层，用稀碱液将油层中和至Ph一8。再用乙醇洗涤2次后减压蒸馏，收集140～200℃(3.33kPa)的馏分，即为溴代十二烷烃，收率90％。 将溴代十二烷和二甲基苄胺先后加入反应釜，加热至80℃反应6h(温度不超过110℃)即得产品。
  • 毒性分级:高毒
  • 方法三:将186 kg十二醇加入反应釜中，开动搅拌，在冷却条件下缓缓加入硫酸250 kg。加毕后搅拌1 h，再加入121 kg溴化钠，逐步升温至90～95℃，反应8 h后静置分出酸液。油层是溴代十二烷粗品。将其用泵转移到中和釜，加稀碱液调pH值至8左右，分出碱液，用50%的乙醇洗涤两次，减压蒸馏收集140～200℃ （9 kPa）馏分得精溴代十二烷。收率90%以上。将其打入季铵化釜中，加入120 kg二甲基苄基胺，缓慢升温至100～110℃，保温反应6 h，得目的产物，收率95%以上。
  • 用途二:十二烷基二甲基苄基溴化铵是一种季铵盐型阳离子表面活性剂，具有去污和杀菌能力，我国规定可用于蔬、果的保鲜，最大使用量为0.07g/kg。
  • 用途四:该品为常用的阳离子表面活性剂，兼有杀菌和去垢效力，作用强而快，对金属制品无腐蚀作用，不污染衣服，性质稳定，易于保存，在医药上用作消毒防腐剂。该品毒性低，对组织无刺激性，无积累性毒性。大鼠口服LD50为400mg/kg；鱼类LD50为15.0ppm。
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物, 氨和溴化物烟雾
  • 参考质量标准:中华人民共和国药典(1995) 含量(干基)/% 95.0~105.0 水分/% ≤10. 0 氨化合物 符合要求 非季铵类物 符合要求

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

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