Ethyl 3-cyano-3-phenylpyruvate 3-氰基-3-苯基丙酮酸乙酯

CAS 6362-63-6 MFCD00019801

化学结构图

6362-63-6
SMILES: CCOC(=O)C(=O)C(C#N)c1ccccc1

化学属性

Mol. FormulaC12H11NO3
Mol. Weight217.22
Melting Point124-128 °C
TSCANo

别名和识别编码

Chemical NameEthyl 3-cyano-3-phenylpyruvate
Alfabeta NameETHYLCYANOPHENYLPYRUVATE 33---
MDL NumberMFCD00019801
CAS Number6362-63-6
PubChem Substance ID24849106
EC Number228-844-7
Synonym AI3-15927 {LY} AI3-15927 {} {LY} AI3-15927 {} {} {LY} AI3-15927 {} {} {} {LY} AI3-15927 {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AI3-15927 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-氰基-3-苯基丙酮酸乙酯
InChIKeyYWNRATDDUSMBPR-UHFFFAOYSA-N
Wiswesser Line NotationNCR X1V1UNO2
Beilstein Registry Number0613921
LabNetwork Molecule IDLN00158587
Canonical SMILESO=C(C(C(C1=CC=CC=C1)C#N)=O)OCC
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分类

  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
RTECSUZ0875000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 4,49,1952

Storage condition

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C12 to C63 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C12 to C63 - Esters

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