Chlorhexidine diacetate 氯己定二乙酸盐

CAS 56-95-1 MFCD00012532

化学结构图

56-95-1
SMILES: CC(=O)O.CC(=O)O.NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1

化学属性

Mol. FormulaC26H38Cl2N10O4
Mol. Weight625.55
Appearance 白色结晶性粉末。熔点154-155℃。20℃在水中溶解度为1.9g/100ml，溶于乙醇。洗必泰醋酸盐（[3697-42-5）]在260-262℃分解。
SolubilityH2O: 15 mg/mL, clear
Melting Point153-156°C
Boiling Point699.3°C at 760 mmHg
Flash Point376.7°C

别名和识别编码

Chemical NameChlorhexidine Diacetate
Synonym 1,1'-HEXAMETHYLENEBIS[5-(4-CHLORO-PHENYL)BIGUANIDE] DIACETATE MONOHYDRATE 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate 1,1ˊ-六亚甲基双[5-(4-氯苯基)双胍]二乙酸盐 1,1’-hexamethylenebis(5-(p-chlorophenyl)-biguaniddiacetate 1,1’-hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate 1,6-BIS(N-P-CHLOROPHENYLDIGUANIDO)HEXANE D 1,6-BIS[N5-(P-CHLOROPHENYL)-N1-BIGUANIDO]HEXANE DIACETATE SALT 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate 1,6-Bis(N5-[p-chlorophenyl]-N1- 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; 1,1'-Hexamethylenebis(5-[p-chlorophenyl]bi 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; 1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide) Chlorhexidine diacetate 1,6-DI(N-P-CHLOROPHENYL-DIGUANIDO) HEXANE DIACETATE 1,6-bis(5-(p-chlorophenyl)biguandino)hexanediacetate 1,6-di(4’
MDL NumberMFCD00012532
CAS Number56-95-1
PubChem Substance ID9562059
EC Number200-302-4
Chemical Name Translation氯己定二乙酸盐
Merck Number2091
Reaxys-RN3880174
Wiswesser Line NotationGR DMYUM&MYUM&M6MYUM&MYUM&MR DG &QV1 2
LabNetwork Molecule IDLN00201967
Canonical SMILESN=C(NC1=CC=C(Cl)C=C1)NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N.CC(O)=O.CC(O)=O
InChIInChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)
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分类

  • {SNA} A - K,
  • {SNA} A - K, An
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Standards, Analytical Standards, Chlorhexidine, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} APIs & Metabolites,
  • {SNA} A - K, Antibacterial, Antibiotics A to Z, Antibiotics A-F, Antibiotics by Application, Antifungal, Interferes with Cell Membrane Permeability (Ionophores), Mechanism of Action, Preservatives and Disinfectants, Spectrum of Activity, 抗生素, 生化试剂
  • {SNA} A - K,

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P264+P265
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P310
  • P301+P312
  • P301+P312+P330
  • P301+P316
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P337+P313
  • P337+P317
  • P342+P311
  • P342+P316
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • 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
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H371 May cause damage to organs 可能导致器官损伤
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
RTECSDU1930000
Signal word Warning
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Hazard Codes N Xn
Risk Statements
  • R50/53
  • R22 Harmful if swallowed 吞咽有害
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Hazard Class9
UN Number 3077
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 9,192,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 9,192,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 9,192,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 9,192,1954

Storage condition 2-8°C 2-8°C, stored under nitrogen

其他信息

  • MSDS 信息:Chlorhexidine acetate(56-95-1).msds
  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • 类别:有毒物质
  • 急性毒性:口服-小鼠 LD50: 2000 毫克/公斤; 静脉-小鼠 LD50: 25 毫克/公斤
  • 毒性分级:中毒
  • 用途一:为外用广谱抑菌、杀菌药，对革兰氏阴性及革兰氏阳性细菌均有很强的抑菌、杀菌能力
  • Sigma Aldrich:56-95-1(sigmaaldrich)
  • MOL 文件:56-95-1.mol
  • 用途二:消毒药。对革兰氏阳性菌、阴性菌及真菌均有较强的杀菌作用，对绿脓杆菌也有效。用于皮肤消毒、冲洗伤口，也可用于手术器械消毒。
  • 上游原料:4-氯苯胺
  • 储运特性:库房低温通风干燥
  • F:8-10
  • 刺激数据:皮肤-兔 500 毫克/24小时 轻度
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 方法一:由对氯苯胺经重氮化，缩合、消除脱氮、缩合、中和成盐制得。
  • 用途三:阳离子广谱抗菌药，属于双缩胍家族。它的作用机理涉及扰乱细菌的细胞膜。也消毒药。对革兰氏阳性菌、阴性菌及真菌均有较强的杀菌作用，对绿脓杆菌也有效。用于皮肤消毒、冲洗伤口，也可用于手术器械消毒。
  • 图谱信息:醋酸氯己定(56-95-1)红外图谱(IR1) 醋酸氯己定(56-95-1)红外图谱(IR2)

系列性分类

  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Antibiotics A to Z - Antibiotics
  4. Antibiotics A-F - Antibiotics A to Z
  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Spectrum of Activity - Antibiotics
  4. Antibacterial - Spectrum of Activity
  5. A - K - Antibacterial
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards

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