1-(2-chloropyridine-4-yl)ethanone 2-氯-4-乙酰基吡啶

CAS 23794-15-2 MFCD07699406

化学结构图

23794-15-2
SMILES: CC(=O)C1C=CN=C(Cl)C=1

化学属性

Mol. FormulaC7H6ClNO
Mol. Weight155.58
Melting Point35-40 °C
TSCANo

别名和识别编码

Chemical Name1-(2-chloropyridine-4-yl)ethanone
CAS Number23794-15-2
Alfabeta NameCHLOROPYRIDINYLETHANONE 1241()------
MDL NumberMFCD07699406
Synonym 1-(2-Chloropyridin-4-yl)ethanone 1-(2-Chloropyridin-4-yl)ethanone 2-Chloro-4-acetylpyridine 1-(2-氯吡啶-4-基)乙酮; 2-氯-4-乙酰吡啶 2-Chloro-4-acetylpyridine
Chemical Name Translation2-氯-4-乙酰基吡啶
PubChem Substance ID329763773
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分类

  • {KO} ReacChlorides
  • Building Blocks, C7 to C18, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
  • {KO} Ketones
  • {SNA} Building Blocks, C7, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT-HARMFUL
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
UN Number UN2811
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Packing GroupIII
Hazard Codes Xi

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
0
LogP
1

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. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C7 to C18 - Pyridines
  1. C7 to C8 - Pyridines

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