3-Bromoisonicotinic acid 3-溴异烟酸(3-溴-4-羧酸吡啶)

CAS 13959-02-9 MFCD00040944

化学结构图

13959-02-9
SMILES: OC(=O)C1=CC=NC=C1Br

化学属性

Mol. FormulaC6
Mol. Weight202
Melting Point234-238 °C
TSCANo

别名和识别编码

Chemical Name3-Bromoisonicotinic acid
CAS Number13959-02-9
Alfabeta NameBROMOISONICOTINICACID 3-
MDL NumberMFCD00040944
Synonym 3-溴异烟酸 3-Bromopyridine-4-carboxylic acid; Vitamin E 3-Bromoisonicotinic acid 3-溴吡啶-4-甲酸 3-溴异烟酸;3-溴吡啶-4-羧酸
Chemical Name Translation3-溴异烟酸(3-溴-4-羧酸吡啶)
PubChem Substance ID329763303
LabNetwork Molecule IDLN00009298
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
  • {SA} Building Blocks, C5 to C6, C6 to C7, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

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。
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S22 Do not breathe dust 不要吸入粉尘；
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
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn

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
1
H-bond Donors
1
LogP
1

系列性分类

  1. C6 - Pyridines
  1. C6 to C7 - Pyridines
  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. Pyridine Acids
  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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