4-(2-Pyrimidinyloxy)benzenecarboxylic acid

CAS 855423-33-5 MFCD03617910

化学结构图

855423-33-5
SMILES: OC(=O)C1C=CC(=CC=1)OC1N=CC=CN=1

化学属性

Mol. FormulaC11H8N2O3
Mol. Weight216.19
Melting Point167 - 169

别名和识别编码

Chemical Name4-(2-pyrimidinyloxy)benzenecarboxylic acid
CAS Number855423-33-5
Alfabeta NamePYRIMIDINYLOXYBENZENECARBOXYLICACID 42()--
MDL NumberMFCD03617910
Synonym 4-(2-pyrimidinyloxy)benzenecarboxylic acid
PubChem Substance ID329781776
Chemical Name Translation
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分类

  • {SNA} Building Blocks, C9 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Hazard Codes Xn
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
3
H-bond Donors
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C9 to C11 - Pyrimidines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Pyrimidine Acids

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