4-Chloro-7-azaindole 4-氯-7-氮杂吲哚

CAS 55052-28-3 MFCD08272232

化学结构图

55052-28-3
SMILES: Clc1ccnc2[nH]ccc12

化学属性

Mol. FormulaC7H5ClN2
Mol. Weight152.58
Melting Point174-176°C
Density1.422
TSCANo

别名和识别编码

Chemical Name4-Chloro-7-azaindole
CAS Number55052-28-3
Alfabeta NameCHLOROPYRROLOPYRIDINE HB4123[]----,
MDL NumberMFCD08272232
Synonym 4-Chloro-7-azaindole {LY} 4-Chloro-7-azaindole {} {LY} 4-Chloro-7-azaindole {} {} {LY} 4-Chloro-7-azaindole {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-azaindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number250-023-7
Beilstein Registry Number907680
Chemical Name Translation4-氯-7-氮杂吲哚
Reaxys-RN907680
PubChem Substance ID160870961
LabNetwork Molecule IDLN00008968
Canonical SMILESClC1=C2C(NC=C2)=NC=C1
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分类

  • {KO} ReacChlorides
  • Azaindoles, Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles
  • {KO} AminesSecondaryHeteroNH
  • {SNA} Azaindoles, Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles

产品应用

  • A useful intermediate for drug discovery research.

相关文献及参考

  • Caldwell, J., et al.: Tet. Lett., 48, 1527 (2007)

安全信息

Warnings IRRITANT
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。
  • 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。
  • P301+P310
  • P305+P351+P338
  • P332+P313
  • 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
Signal word Danger
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
UN Number 2811
Hazard Codes 6.1 Xn
Packing GroupIII

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
2

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. 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. C7 to C9 - Indoles
  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. Pyridines 吡啶

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