3-Acetylindole 3-乙酰吲哚

CAS 703-80-0 MFCD00005626

化学结构图

703-80-0
SMILES: CC(=O)c1c[nH]c2ccccc12

化学属性

Mol. FormulaC10H9NO
Mol. Weight159.19
Density1.422
Melting Point188-192°C
TSCANo
Boiling Point333.9°C at 760 mmHg

别名和识别编码

Chemical Name3-Acetylindole
CAS Number703-80-0
Alfabeta NameINDOLYLETHANONE H113()----
MDL NumberMFCD00005626
Synonym 3-Acetylindole {LY} 3-Acetylindole {} {LY} 3-Acetylindole {} {} {LY} 3-Acetylindole {} {} {} {LY} 3-Acetylindole {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number211-875-5
Beilstein Registry Number122579
PubChem Substance ID87562367
Reaxys-RN122579
Chemical Name Translation3-乙酰吲哚
Wiswesser Line NotationT56 BMJ DV1
LabNetwork Molecule IDLN00003595
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
Canonical SMILESC1=CC=CC2=C1C(=C[NH]2)C(C)=O
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ketone; 1fragment
  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

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
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
RTECSOB4520000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 9,453,1974

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

  • 检测方法:HPLC,NMR
  • Acros Organics:3-乙酰基吲哚 3-Acetylindole, 97%(703-80-0)
  • TCI Shanghai:3-乙酰基吲哚 3-Acetylindole,>;98.0%(T)(703-80-0)
  • Alfa Aesar:3-乙酰基吲哚,98% 3-Acetylindole, 98%(703-80-0)
  • 海关编码:29339990
  • 图谱信息:3-乙酰吲哚(703-80-0)红外图谱(IR1) 3-乙酰吲哚(703-80-0)红外图谱(IR2) 3-乙酰吲哚(703-80-0)核磁图( 1 HNMR) 3-乙酰吲哚(703-80-0)核磁图( 13 CNMR) 3-乙酰吲哚(703-80-0)质谱(MS)
  • 3-乙酰吲哚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0849 3-乙酰基吲哚 3-Acetylindole 5G 604元 2014/06/02 A0849 3-乙酰基吲哚 3-Acetylindole 25G 2040元 2010/06/21 102590250 3-乙酰吲哚 3-Acetylindole 97% 25 GR 2568元
  • MOL 文件:703-80-0.mol
  • MSDS 信息:3-Acetylindole(703-80-0).msds
  • Sigma Aldrich:703-80-0(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indazoles 吲唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indolines 吲哚啉
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C10 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles

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