2-(4-Nitrobenzylidene)Malononitrile 2-(4-硝基亚苄基)丙二腈

CAS 2700-23-4 MFCD00159003

化学结构图

2700-23-4
SMILES: N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC10H5N3O2
Mol. Weight199.17
Melting Point149-151 °C

别名和识别编码

Chemical Name2-(4-Nitrobenzylidene)Malononitrile
CAS Number2700-23-4
Alfabeta NameNITROPHENYLMETHYLENEMALONONITRILE 24[]()--
MDL NumberMFCD00159003
Chemical Name Translation2-(4-硝基亚苄基)丙二腈
InChIKeyBDTIGNGBIBFXSE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147923
PubChem Substance ID2041
InChIInChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H
Synonym 4-Nitrobenzylidenemalononitrile {LY} 4-Nitrobenzylidenemalononitrile {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzylidenemalononitrile {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESN#C/C(C#N)=C/C1=CC=C(C=C1)[N+]([O-])=O
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分类

  • {KO} Nitriles
  • {KO} Nitros

安全信息

Warnings IRRITANT
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P302+P352
  • P304+P312
  • P304+P340
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
4
Rotatable Bonds
2
LogP
1

系列性分类

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