2-Benzylbenzimidazole 2-苄基苯并咪唑

CAS 621-72-7 MFCD00022680

化学结构图

621-72-7
SMILES: c1ccc(Cc2nc3ccccc3[nH]2)cc1

化学属性

Mol. FormulaC14H12N2
Mol. Weight208.265
Appearance 针状体结晶。熔点187℃。实际上不溶于水，溶于热苯、乙醇、冰醋酸。地巴唑盐酸盐（C14H12N2·HCI，Dibasol）为白色结晶性粉末。熔点175℃。溶于热水、乙醇，几乎不溶于氯仿、苯。

别名和识别编码

Chemical Name2-Benzylbenzimidazole
CAS Number621-72-7
Alfabeta NameBENZYLBENZIMIDAZOLE H21---
MDL NumberMFCD00022680
Chemical Name Translation2-苄基苯并咪唑
Synonym 1H-Benzimidazole, 2-(phenylmethyl)- 2-(Phenylmethyl)-1H-benzimidazole 2-(phenylmethyl)-1h-benzimidazol 2-(phenylmethyl)-1h-benzimidazole 2-BENZYL-1H-BENZOIMIDAZOLE 2-BENZYLBENZIMIDAZOLE 2-Bbenzimidazole 2-Benzyl-1H-benzimidazole 2-Benzylbenzimidazole 2-Benzylbenziminazole 2-Phenylmethyl-Benzimidazole 2-benzyl-benzimidazol 2-benzylbenziminazole 2-苄基苯并咪唑 AKOS B016001 AKOS BOR-BB-014 BENDAZOL Bendazol Bendazol (base and/or unspecified salts) Bendazole DIBAZOLE Dibasol Dibazol Dibazole RARECHEM BG FB 0119 Tromasedan bendazo bendazole dibasol dibazol tromasedan 地巴唑
EC Number210-703-6
Wiswesser Line NotationT56 BM DNJ C1R
Beilstein Registry Number0159495
LabNetwork Molecule IDLN00166279
PubChem Substance ID12132
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

安全信息

Warnings IRRITANT
RTECSDD6206000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRZKAP Farmatsevtichnii Zhurnal (Kiev).  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR) V.3-    1930-  Volume(issue)/page/year: (1),44,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 24(6),25,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRZKAP Farmatsevtichnii Zhurnal (Kiev).  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR) V.3-    1930-  Volume(issue)/page/year: (5),26,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 504 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: 13,829,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   AKGIAO Akushcherstvo i Ginekologiya (Moscow).  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) No.1-    1936-  Volume(issue)/page/year: 43(12),10,1967

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 毒性分级:高毒
  • Sigma Aldrich:621-72-7(sigmaaldrich)
  • 急性毒性:口服-小鼠 LD50: 100 毫克/公斤; 腹腔-小鼠 LD50: 240 毫克/公斤
  • 上游原料:1,2-苯二胺
  • 方法一:邻苯二胺和苯乙酸经环合而得。先将邻苯二胺和盐酸混合加热溶解，加苯乙酸后搅拌升温，在108-110℃脱水5h。再分步升温反应，直至240℃时停止加热。用液碱调节pH至9-10，50℃下过滤，得地巴唑。将地巴唑加水溶解，用盐酸调pH至4.6-4.8，加活性炭脱色得地巴唑盐酸盐。
  • MOL 文件:621-72-7.mol
  • 用途一:该品为平滑肌松弛药。用于高血压、心绞痛及脑血管痉挛。亦用于神经脊髓灰质炎、外周性颜面神经麻痹症、单神经炎及多发性神经炎。
  • 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

相关产品推荐