6-Azaindole 6-氮杂吲哚

CAS 271-29-4 MFCD01686899

化学结构图

271-29-4
SMILES: c1cc2cc[nH]c2cn1

化学属性

Mol. FormulaC7H6N2
Mol. Weight118.14
Melting Point136-137°C
Boiling Point295.7°C at 760 mmHg

别名和识别编码

Chemical Name6-Azaindole
CAS Number271-29-4
Alfabeta NameAZAINDOLE 6-
MDL NumberMFCD01686899
Synonym 6-Azaindole {LY} 6-Azaindole {} {LY} 6-Azaindole {} {} {LY} 6-Azaindole {} {} {} {LY} 6-Azaindole {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation6-氮杂吲哚
Wiswesser Line NotationT56 BM HNJ
Beilstein Registry Number0109685
InChIKeyXLKDJOPOOHHZAN-UHFFFAOYSA-N
LabNetwork Molecule IDLN00004595
PubChem Substance ID9219
InChIInChI=1S/C7H6N2/c1-3-8-5-7-6(1)2-4-9-7/h1-5,9H
Canonical SMILESC1(NC=C2)=C2C=CN=C1
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分类

  • {SNA} Azaindoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
Hazard Codes Xi Xn
Safety Statements
  • 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；
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
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
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
GHS Symbol
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSUY8720000
Signal word Danger 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12 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

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

  • MOL 文件:271-34-1.mol
  • Hazard Note:Irritant
  • 上游原料:氢氧化钠 --> 盐酸 --> 乙酸乙酯 --> 硫酸 --> 四氢呋喃 --> 二氯甲烷 --> 乙酸 --> N,N-二甲基甲酰胺 --> 硝酸 --> 正丁基锂 --> 正己烷 --> 过氧化氢 --> 钯 --> 二碳酸二叔丁酯 --> N,N-二甲基甲酰胺二甲基缩醛 --> N-甲基苯胺 --> 醋酸异丙酯 --> 甲酸铵 --> 左旋酒石酸 --> 3-甲基吡啶 --> 3-甲基-4-硝基吡啶-N-氧化物 --> 3-甲基-4-氨基吡啶
  • 用途一:用作有机合成试剂

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. Azaindoles
  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

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