Benzimidazole 苯并咪唑

CAS 51-17-2 MFCD00005585

化学结构图

51-17-2
SMILES: c1ccc2[nH]cnc2c1

化学属性

Mol. FormulaC7H6N2
Mol. Weight118
Density1.242
Melting Point169-171
TSCAYes
Boiling Point360
Solubility微溶
Stability对湿度敏感
Flash Point360°C
Appearance 白色斜方及单斜结晶。熔点170.5℃,沸点>;360℃。溶于热水、醇、沸二甲苯、酸及强碱水溶液,微溶于冷水及醚,几乎不溶于苯及石油醚。有较好的化学稳定性。

别名和识别编码

Chemical NameBenzimidazole
Synonym 1,3-BENZODIAZOLE 1,3-Benzodiazole 1H-Benzoimidazole 1H-苯并咪唑 1H-苯并咪唑,苯并二唑, 1,3-苯并二氮唑 o-Benzimidazole BENZIMIDAZOLE BZI Benzoglyoxaline Benzoimidazole N,N'-Methenyl-o-phenylenediamine N,N'-Methenyl-o-Phenylenediamine N,N'-O-PHENYLENEFORMAMIDINE NSC 759 TIMTEC-BB SBB004294 苯并咁噁啉 苯并咪唑, 99% 间(二)氮茚 间二氮茚
MDL NumberMFCD00005585
CAS Number51-17-2
EC Number200-081-4
Beilstein Registry Number109682
PubChem Substance ID87563258
Merck Number1081
Chemical Name Translation苯并咪唑
Reaxys-RN109682
Wiswesser Line NotationT56 BM DNJ
LabNetwork Molecule IDLN00193437
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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分类

  • {SNA} Benzimidazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 三唑类杀菌剂

产品应用

  • 测定钴的试剂。有机合成中间体。

相关文献及参考

  • Short: II/24C
  • Merck: 14,1081 Beilstein:23,131
  • Merck: 14,1081
  • Short: II/24B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
RTECSDD5425000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Storage condition 密封保存。
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,22,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2910 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 445 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 14,130,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 385 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 95,123,1953

TYPE OF

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   CHIMAD Chimia.  (Postfach 2027, CH-4001 Basel, Switzerland)  V.1-    1947-
   Volume(issue)/page/year: 27,68,1973

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 mg/disc
REFERENCE :
   APMBAY Applied Microbiology.  (Washington, DC)  V.1-30, 1953-75.  For
   publisher information, see AEMIDF.  Volume(issue)/page/year: 6,23,1958

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 15 mmol/L/48H
REFERENCE :
   ANBCA2 Analytical Biochemistry.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.1-    1960-  Volume(issue)/page/year: 75,45,1976

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie.  (Akademie-Verlag GmbH,
   Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.)  V.1-    1960-
   Volume(issue)/page/year: 12,583,1972

其他信息

  • 毒性分级:中毒
  • Alfa Aesar:苯并咪唑,99% Benzimidazole, 99%(51-17-2)
  • Hazard Note:Irritant
  • 急性毒性:口服-大鼠 LD50: 500 毫克/公斤; 口服-小鼠 LD50: 2910 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • Sigma Aldrich:51-17-2(sigmaaldrich)
  • 方法一:其制备方法是将粉碎好的邻苯二胺加入反应釜内,然后抽入甲酸,保持反应温度95~98℃搅拌2h,冷却析出结晶,再用10%NaOH中和至微碱性,冷却过滤,用水洗涤、干燥即得苯并咪唑。
  • 图谱信息:苯并咪唑(51-17-2)核磁图( 1 HNMR) 苯并咪唑(51-17-2)红外图谱(IR2) 苯并咪唑(51-17-2)红外图谱(IR1) 苯并咪唑(51-17-2)质谱(MS) 苯并咪唑(51-17-2)核磁图( 13 CNMR)
  • MOL 文件:51-17-2.mol
  • 呈弱碱性,微溶于冷水和乙醛,稍溶于热水,易溶于乙醇、沸二甲苯;酸及强碱水溶液,几乎不溶于苯和石油醚。有较好的化学稳定性。
  • TCI Shanghai:1-苯并咪唑 Benzimidazole,>;98.0%(T)(51-17-2)
  • 海关编码:29339990
  • 用途一:用于合成维生素B12等药物和制备高分子化合物等
  • 苯并咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30018524 苯并咪唑;苯并二唑 25g 49元 2011/04/16 B0054 苯并咪唑 Benzimidazole 25G 274元 2011/04/16 B0054 苯并咪唑 Benzimidazole 500G 1630元
  • Acros Organics:苯并咪唑 Benzimidazole, 98%(51-17-2)
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 类别:农药
  • 方法二:由邻苯二胺与甲酸经环合而得。将邻苯二胺与甲酸的混合物在水浴上加热2h,冷却,用10%氢氧化钠溶液调节pH至10,将析出的固体滤出,用冷水洗涤得粗品。粗品加水微沸,加活性炭脱色,趁热过滤,滤液冷至室温,过滤,冷水洗涤,在100℃干燥得成品。粗品收率90%。
  • 储运特性:通风低温干燥
  • 上游原料:1,2-苯二胺
  • 检测方法:HPLC,NMR
  • 用途四:测定钴的试剂。有机合成中间体。
  • 用途三:有机合成中间体。测定钴的试剂。
  • MSDS 信息:Benzimidazole(51-17-2).msds
  • 用途二:苯并咪唑可用于制备杀菌剂抑霉唑、咪鲜胺等的中间体咪唑。
  • 下游产品:咪唑 --> 噻苯咪唑 --> 多潘立酮 --> 咪唑-4,5-二羧酸 --> 奥沙米特 --> 奥美拉唑 --> 颜料红 175 --> 2-[[3-[[(2,3-二氢-2-氧代-1H-苯并咪唑-5-基)氨基]甲酰]-2-羟基-1-萘]偶氮]苯甲酸丁酯 --> 2-乙酰基苯并咪唑

系列性分类