2-(6-Chloropyridazin-3-Yl)-2-P-Tolylacetonitrile 6-氯-α-(4-甲基苯基)-3-哒嗪乙酰腈

CAS 339008-32-1 MFCD00214777

化学结构图

339008-32-1
SMILES: CC1C=CC(=CC=1)C(C#N)C1C=CC(Cl)=NN=1

化学属性

Mol. FormulaC13H10ClN3
Mol. Weight244
Melting Point133-135°
TSCANo

别名和识别编码

Chemical Name2-(6-Chloropyridazin-3-Yl)-2-P-Tolylacetonitrile
CAS Number339008-32-1
Alfabeta NameCHLOROPYRIDAZINYLMETHYLPHENYLACETONITRILE 26324(())--------
MDL NumberMFCD00214777
Synonym 2-(6-Chloropyridazin-3-yl)-2-p-tolylacetonitrile alpha-(6-Chloro-3-pyridazinyl)-4-methylphenylacetonitrile
Chemical Name Translation6-氯-α-(4-甲基苯基)-3-哒嗪乙酰腈
PubChem Substance ID329815934
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分类

  • {SNA} Building Blocks, C13, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Piperazines, Pyridazines
  • {KO} Nitriles
  • {SNA} Building Blocks, C13, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, New Products for

安全信息

Warnings IRRITANT
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupIII
UN Number UN3439
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • 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
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
Signal word Danger
Hazard Codes T
Hazard statements
  • H301 Toxic if swallowed 吞食有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
3
Rotatable Bonds
2
LogP
3

系列性分类

  1. Building Blocks - New Products for Chemical Synthesis
  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. Pyridazines - Halogenated Heterocycles
  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. Piperazines 哌嗪
  5. C13 - Piperazines

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