4’-Cyano-[1,1’-Biphenyl]-4-Carboxylic Acid 4’-氰基-[1,1’-联苯]-4-羧酸

CAS 5728-46-1 MFCD00438676

化学结构图

5728-46-1
SMILES: N#Cc1ccc(-c2ccc(C(=O)O)cc2)cc1

化学属性

Mol. FormulaC14H9NO2
Mol. Weight223.23
Melting Point263-266 °C
Boiling Point443°C at 760 mmHg

别名和识别编码

Chemical Name4’-Cyano-[1,1’-Biphenyl]-4-Carboxylic Acid
CAS Number5728-46-1
Alfabeta NameCYANOBIPHENYLCARBOXYLICACID 4114[]----,''
MDL NumberMFCD00438676
Synonym 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4'-Cyano-[1,1'-biphenyl]-4-carboxy
Chemical Name Translation4’-氰基-[1,1’-联苯]-4-羧酸
LabNetwork Molecule IDLN00146605
PubChem Substance ID2757954
InChIInChI=1S/C14H9NO2/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,(H,16,17)
Canonical SMILESC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N
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分类

  • {KO} Nitriles
  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • 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
1
H-bond Acceptors
3
Rotatable Bonds
2
LogP
3

其他信息

  • MOL 文件:5728-46-1.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. C10 to C27 - Cyanides/Nitriles

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