5-bromo-1-benzothiophene-2-carboxylic acid 5-溴-1-苯并噻吩-2-羧酸

CAS 7312-10-9 MFCD01929338

化学结构图

7312-10-9
SMILES: OC(=O)C1=CC2C=C(Br)C=CC=2S1

化学属性

Mol. FormulaC9H5BrO2S
Mol. Weight257.10
Melting Point233-234°C
Boiling Point429.7°C at 760 mmHg

别名和识别编码

Chemical Name5-bromo-1-benzothiophene-2-carboxylic acid
CAS Number7312-10-9
Alfabeta NameBROMOBENZOTHIOPHENECARBOXYLICACID 512-----
MDL NumberMFCD01929338
Synonym 5-Bromo-1-benzothiophene-2-carboxylic acid {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1-benzothiophene-2-carboxy
Chemical Name Translation5-溴-1-苯并噻吩-2-羧酸
LabNetwork Molecule IDLN00148981
Canonical SMILESO=C(C1=CC2=CC(Br)=CC=C2S1)O
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分类

  • {KO} ReacBromides
  • {KO} CarboxylicAcids
  • {SNA} Benzothiophenes, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks

相关文献及参考

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P305+P351+P338
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 Xn
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
Rotatable Bonds
1
H-bond Donors
1
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. Benzothiophenes 苯并噻吩
  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. Heterocyclic Acids 杂环酸
  5. Thiophene Acids

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