3-Hydroxy-1-methylpyridinium iodide 3-羟基-1-甲基吡啶-1-碘化

CAS 7500-05-2 MFCD00971955

化学结构图

7500-05-2
SMILES: C[n+]1cccc(O)c1.[I-]

化学属性

Mol. FormulaC6H8INO
Mol. Weight237.04

别名和识别编码

Chemical Name3-Hydroxy-1-methylpyridinium iodide
CAS Number7500-05-2
Synonym 3-Hydroxy-1-methylpyridin-1-ium iodide {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxy-1-methylpyridin-1-ium iodide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-H
Alfabeta NameHYDROXYMETHYLPYRIDINIUMIODIDE 31---
MDL NumberMFCD00971955
Chemical Name Translation3-羟基-1-甲基吡啶-1-碘化
InChIKeyPTNGQQDWNQHRAZ-UHFFFAOYSA-N
Wiswesser Line NotationT6KJ A1 CQ &I
LabNetwork Molecule IDLN00178554
PubChem Substance ID202109
InChIInChI=1S/C6H7NO.HI/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H
Canonical SMILESC[N+]1=CC=CC(=C1)O.[I-]
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分类

  • Aromatics
  • Heterocycles
  • Inhibitors
  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; alcohol; 2fragments; ionic

产品应用

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相关文献及参考

  • Obukhova, L.K. et al.: Izvest. Akad. USSR Ser. Biol., 4, 548 (1979); Shabarchin, E.I. et al.: Issled. Sint. Prir. Antioksid. in Vitro in Vivo, 68 (1992);
  • 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.

安全信息

Warnings IRRITANT
RTECSUU5283700
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JCSOA9 Journal of the Chemical Society.  (London, UK)  1926-65.  For
   publisher information, see JCPRB4.  Volume(issue)/page/year: -,182,1947

Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类


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