5-Azaindole 5-氮杂吲哚

CAS 271-34-1 MFCD00955936

化学结构图

271-34-1
SMILES: c1cc2[nH]ccc2cn1

化学属性

Mol. FormulaC7H6N2
Mol. Weight118.14
Density1.422
Melting Point104.6-108.4°C
Boiling Point295.8°C at 760 mmHg

别名和识别编码

Chemical Name5-Azaindole
CAS Number271-34-1
Alfabeta NamePYRROLOPYRIDINE HC132[]--,
MDL NumberMFCD00955936
Synonym 5-Azaindole {LY} 5-Azaindole {} {LY} 5-Azaindole {} {} {LY} 5-Azaindole {} {} {} {LY} 5-Azaindole {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Azaindole {} {} {}
EC Number250-023-7
Beilstein Registry Number23(5)6,304
Reaxys-RN109684
PubChem Substance ID9220
Chemical Name Translation5-氮杂吲哚
Wiswesser Line NotationT56 BM GNJ
InChIKeySRSKXJVMVSSSHB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00006232
InChIInChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
Canonical SMILESC12=C(NC=C2)C=CN=C1
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分类

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

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 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 CO-ROM's.

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
RTECSUY8725000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 16 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 6,480,1963

系列性分类


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