Ethyl 4-Chloroquinoline-3-carboxylate 4-氯喹啉-3-羧酸乙酯

CAS 13720-94-0 MFCD00173407

化学结构图

13720-94-0
SMILES: CCOC(=O)C1C=NC2C=CC=CC=2C=1Cl

化学属性

Mol. FormulaC12H10ClNO2
Mol. Weight236
Melting Point44.0 to 48.0 deg-C
TSCANo
Boiling Point129°C/0.2mmHg(lit.)

别名和识别编码

Chemical NameEthyl 4-Chloroquinoline-3-carboxylate
CAS Number13720-94-0
Alfabeta NameETHYLCHLOROQUINOLINECARBOXYLATE 43---
MDL NumberMFCD00173407
Synonym 4-Chloroquinoline-3-carboxylic acid ethyl ester ethyl 4-chloro-3-quinolinecarboxylate
Chemical Name Translation4-氯喹啉-3-羧酸乙酯
PubChem Substance ID329815925
Reaxys-RN179435
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, C11 to C30, Chemical Synthesis, Heterocyclic Building Blocks, Quinolines
  • {KO} Esters

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Signal word Warning
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；
Hazard Codes Xi
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛

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 Acceptors
3
Rotatable Bonds
3
H-bond Donors
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. Quinolines 喹啉
  5. C11 to C30 - Quinolines

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