2-Ethylbenzimidazole 2-乙基苯并咪唑

CAS 1848-84-6 MFCD00022684

化学结构图

1848-84-6
SMILES: CCc1nc2ccccc2[nH]1

化学属性

Mol. FormulaC9H10N2
Mol. Weight146.19
Boiling Point341°
Melting Point173.0 to 177.0 deg-C

别名和识别编码

Chemical Name2-Ethylbenzimidazole
CAS Number1848-84-6
Alfabeta NameETHYLBENZIMIDAZOLE H21---
MDL NumberMFCD00022684
Synonym 2-ETHYLBENZOIMIDAZOLE 2乙基-1H-苯并咪唑 2-ETHYL-1H-BENZIMIDAZOLE 2-ethyl-1H-benzoimidazole RARECHEM AQ NN 0068 2-Ethyl-1H-benzoimidazole 2- 乙基苯并咪唑 2-ETHYLBENZIMIDAZOLE 2-ETHYLBENZIMIDAZOLE, 98+% 2-Ethyl-1H-benzimidazole 2-Ethylbenzimidazole 2-ethyl-benzimidazol 2-ethyl-benzimidazole 1H-Benzimidazole, 2-ethyl- 1H-Benzimidazole,2-ethyl-(9CI)
EC Number217-433-8
Chemical Name Translation2-乙基苯并咪唑
Wiswesser Line NotationT56 BM DNJ C2
Beilstein Registry Number0116484
InChIKeyQHCCOYAKYCWDOJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00138602
Reaxys-RN116484
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
RTECSDD8925000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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            : 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

其他信息

  • MOL 文件:1848-84-6.mol

系列性分类


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