Methyl 4-Bromopyrrole-2-carboxylate 4-溴-1H-吡咯-2-羧酸甲酯

CAS 934-05-4 MFCD00832855

化学结构图

934-05-4
SMILES: COC(=O)c1cc(Br)c[nH]1

化学属性

Mol. FormulaC6H6BrNO2
Mol. Weight204.02
Melting Point100-101°C
Density1.422
Boiling Point290.5°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 4-Bromopyrrole-2-carboxylate
CAS Number934-05-4
Alfabeta NameMETHYLBROMOPYRROLECARBOXYLATE H412-----
MDL NumberMFCD00832855
EC Number250-023-7
Beilstein Registry Number2384789
Synonym Methyl 4-bromo-1H-pyrrole-2-carboxylate {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromo-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-溴-1H-吡咯-2-羧酸甲酯
Reaxys-RN471883
PubChem Substance ID253662060
LabNetwork Molecule IDLN00004044
Canonical SMILESCOC(C1=CC(Br)=CN1)=O
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分类

  • {KO} ReacBromides
  • {KO} Esters
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
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 Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 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 {} {} {} {} {} {} {} {} {} {} {}

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
2
LogP
1

其他信息

  • MOL 文件:934-05-4.mol
  • 上游原料:甲醇 --> 乙醚 --> 钠 --> 三氯甲烷 --> 溴 --> 吡咯 --> 三氯乙酰氯

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. Pyrroles 吡咯

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