3-Nitrophenylaceonitrile 3-硝基苯乙腈

CAS 621-50-1 MFCD00041249

化学结构图

621-50-1
SMILES: N#CCc1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC8H6N2O2
Mol. Weight162.15
Melting Point60-62°C
Boiling Point180°C at 760 mmHg

别名和识别编码

Chemical Name3-Nitrophenylaceonitrile
CAS Number621-50-1
Alfabeta NameNITROPHENYLACETONITRILE 3-
MDL NumberMFCD00041249
Synonym 2-(3-Nitrophenyl)acetonitrile {LY} 2-(3-Nitrophenyl)acetonitrile {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(3-Nitrophenyl)acetonitrile {} {} {} {} {} {} {} {} {}
EC Number210-689-1
PubChem Substance ID12125
Chemical Name Translation3-硝基苯乙腈
Wiswesser Line NotationWNR C1CN
Beilstein Registry Number1867862
InChIKeyWAVKEPUFQMUGBP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010244
InChIInChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
Canonical SMILESN#CCC1=CC=CC([N+]([O-])=O)=C1
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分类

  • Aromatics
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Strazzolini, P. et al.: J. Org. Chem., 63, 952-958 (1998)

安全信息

Warnings IRRITANT-HARMFUL
Hazard Codes Xn Xn,Xi
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • 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
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
Signal word Warning
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
RTECSAM1247000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 45 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#12481

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:621-50-1.mol
  • Sigma Aldrich:621-50-1(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles

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