2-Chloro-5-pyridineacetonitrile 2-氯-5-吡啶乙腈

CAS 39891-09-3 MFCD04112495

化学结构图

39891-09-3
SMILES: N#CCC1C=NC(Cl)=CC=1

化学属性

Mol. FormulaC7H5ClN2
Mol. Weight153
Melting Point43-48 °C

别名和识别编码

Chemical Name2-Chloro-5-pyridineacetonitrile
CAS Number39891-09-3
Alfabeta NameCHLOROPYRIDINYLACETONITRILE 263()----
MDL NumberMFCD04112495
Synonym 2-Chloro-5-(cyanomethyl)pyridine
Chemical Name Translation2-氯-5-吡啶乙腈
PubChem Substance ID329763765
LabNetwork Molecule IDLN00009145
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分类

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

安全信息

Warnings IRRITANT, TOXIC
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
Signal word Danger
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xn
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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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
0
H-bond Acceptors
2
Rotatable Bonds
1
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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