5-甲基靛红 5-甲基靛红

CAS 608-05-9 MFCD00005721

化学结构图

608-05-9
SMILES: CC1=CC2=C(C=C1)NC(=O)C2=O

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Melting Point180°C
TSCANo
Appearance crystalline 紫红色结晶。熔点184-188℃。

别名和识别编码

Chemical Name5-甲基靛红
CAS Number608-05-9
Alfabeta NameMETHYLINDOLEDIONE H5123-----,
MDL NumberMFCD00005721
Synonym 5-Methylindoline-2,3-dione {LY} 5-Methylindoline-2,3-dione {} {LY} 5-Methylindoline-2,3-dione {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylindoline-2,3
PubChem Substance ID87558127
EC Number210-152-1
Beilstein Registry Number21(5)11,179
Reaxys-RN123738
Chemical Name Translation5-甲基靛红
InChIKeyVAJCSPZKMVQIAP-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMVVJ G1
LabNetwork Molecule IDLN00165780
Canonical SMILESO=C1NC2=C(C=C(C)C=C2)C1=O
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分类

  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {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/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
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSNL7939300
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;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 790 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

GHS Symbol
Signal word
Precautionary statements
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:608-05-9(sigmaaldrich)
  • Alfa Aesar:5-甲基靛红,97% 5-Methylisatin, 97%(608-05-9)
  • 图谱信息:5-甲基靛红(608-05-9)核磁图( 1 HNMR) 5-甲基靛红(608-05-9)质谱(MS) 5-甲基靛红(608-05-9)红外图谱(IR1) 5-甲基靛红(608-05-9)红外图谱(IR2) 5-甲基靛红(608-05-9)核磁图( 13 CNMR)
  • 5-甲基靛红价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1703 5-甲基靛红 5-Methylisatin 5G 911元 2014/06/02 M1703 5-甲基靛红 5-Methylisatin 25G 3510元 2010/05/25 L08009 5-甲基靛红, 97% 5-Methylisatin, 97% 25g 4088元
  • MOL 文件:608-05-9.mol
  • color:orange
  • TCI Shanghai:5-甲基靛红 5-Methylisatin,>;98.0%(GC)(608-05-9)

系列性分类