Ethyl 5-bromo-1H-indole-2-carboxylate 5-溴吲哚-2-甲酸乙酯

CAS 16732-70-0 MFCD00022701

化学结构图

16732-70-0
SMILES: CCOC(=O)C1=CC2C=C(Br)C=CC=2N1

化学属性

Mol. FormulaC11H10BrNO2
Mol. Weight268.11
Melting Point164.0 to 168.0 deg-C

别名和识别编码

Chemical NameEthyl 5-bromo-1H-indole-2-carboxylate
CAS Number16732-70-0
Alfabeta NameETHYLBROMOINDOLECARBOXYLATE H512-----
MDL NumberMFCD00022701
Synonym 5-Bromoindole-2-carboxylic acid ethyl ester Ethyl 5-bromoindole-2-carboxylate
Reaxys-RN170256
Beilstein Registry Number22(3/4)1070
PubChem Substance ID87559788
Chemical Name Translation5-溴吲哚-2-甲酸乙酯
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分类

  • {SNA} Building Blocks, C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles
  • {KO} AminesSecondaryHeteroNH
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338
GHS Symbol

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
2
Rotatable Bonds
3
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. C11 - Indoles

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