1-Acetyl-1H-Indole-2,3-Dione 1-乙酰基靛红

CAS 574-17-4 MFCD00158542

化学结构图

574-17-4
SMILES: CC(=O)N1C(=O)C(=O)c2ccccc21

化学属性

Mol. FormulaC10H7NO3
Mol. Weight189.17
Melting Point141-143 °C
TSCANo
Appearance 黄色晶体。熔点144℃，不溶于水，溶于醇，丙酮。
Boiling Point345.4±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-Acetyl-1H-Indole-2,3-Dione
CAS Number574-17-4
Alfabeta NameACETYLINDOLEDIONE H1123-----,
MDL NumberMFCD00158542
Synonym 1-Acetylindoline-2,3-dione {LY} 1-Acetylindoline-2,3-dione {} {LY} 1-Acetylindoline-2,3-dione {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylindoline-2,3-dione {} {} {} {} {}
EC Number209-368-9
Beilstein Registry Number144609
Chemical Name Translation1-乙酰基靛红
InChIKeyLPGDEHBASRKTDG-UHFFFAOYSA-N
Wiswesser Line NotationT56 BNVVJ BV1
PubChem Substance ID11321
Reaxys-RN144609
LabNetwork Molecule IDLN00167580
InChIInChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
Canonical SMILESCC(=O)N1C2=CC=CC=C2C(=O)C1=O
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分类

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

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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
RTECSNL7873800
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
WGK Germany3 
TYPE OF TEST            : LD - 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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 809 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
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: 15,858,1981

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
GHS Symbol
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 1-乙酰基靛红价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L17597 1-乙酰基靛红, 97% 1-Acetylisatin, 97% 5g 645元 2010/05/25 L17597 1-乙酰基靛红, 97% 1-Acetylisatin, 97% 25g 2268元 2010/05/25 L17597 1-乙酰基靛红, 97% 1-Acetylisatin, 97% 1g 207元
  • 用途一:用于有机合成。
  • 上游原料:吲哚-2,3-二酮
  • Alfa Aesar:1-乙酰基靛红,97% 1-Acetylisatin, 97%(574-17-4)
  • MOL 文件:574-17-4.mol
  • 方法一:将靛红和乙酐在搅拌下加热回流4h，然后冷至室温，再冷至10℃，滤出结晶，用乙醚洗涤，干燥，即得N-乙酰靛红。
  • Sigma Aldrich:574-17-4(sigmaaldrich)

系列性分类

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