2-(Cyanomethyl)Benzoic Acid 2-(氰甲基)苯甲酸

CAS 6627-91-4 MFCD00020293

化学结构图

6627-91-4
SMILES: N#CCc1ccccc1C(=O)O

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Melting Point126 °C
Boiling Point348.8±17.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-(Cyanomethyl)Benzoic Acid
CAS Number6627-91-4
Alfabeta NameCYANOMETHYLBENZOICACID 2()-
MDL NumberMFCD00020293
Synonym 2-(Cyanomethyl)benzoic acid {LY} 2-(Cyanomethyl)benzoic acid {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Cyanomethyl)benzoi
EC Number229-602-3
Chemical Name Translation2-(氰甲基)苯甲酸
InChIKeyAGXBHBJDSLZGAP-UHFFFAOYSA-N
Beilstein Registry Number0472769
PubChem Substance ID81114
LabNetwork Molecule IDLN00002888
InChIInChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
Canonical SMILESC1=CC=C(C(=C1)CC#N)C(=O)O
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分类

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

安全信息

Warnings IRRITANT
RTECSDG5644450 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,7,1953

WGK Germany3
Storage condition

其他信息

  • MOL 文件:6627-91-4.mol

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

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