2-(1-Phenylethylidene)Malononitrile 2-(1-苯基亚乙基)丙二腈

CAS 5447-87-0 MFCD00159012

化学结构图

5447-87-0
SMILES: CC(=C(C#N)C#N)c1ccccc1

化学属性

Mol. FormulaC11H8N2
Mol. Weight168.19
Melting Point94-96 °C
Boiling Point286.8°C at 760 mmHg

别名和识别编码

Chemical Name2-(1-Phenylethylidene)Malononitrile
CAS Number5447-87-0
Alfabeta NamePHENYLETHYLIDENEMALONONITRILE 21()--
MDL NumberMFCD00159012
Chemical Name Translation2-(1-苯基亚乙基)丙二腈
InChIKeyZVOMMPYHGITOEF-UHFFFAOYSA-N
PubChem Substance ID79530
InChIInChI=1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3
LabNetwork Molecule IDLN00148517
Synonym 2-(1-Phenylethylidene)malononitrile {LY} 2-(1-Phenylethylidene)malononitrile {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethylidene)malononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1-Phenylethyliden
Canonical SMILESCC(=C(C#N)C#N)C1=CC=CC=C1
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分类

  • {KO} Nitriles

安全信息

Warnings IRRITANT
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P310
  • P301+P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

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
2
LogP
2

系列性分类

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