Methyl 4-(1H-Imidazol-1-Yl)Benzoate 4-(1H-咪唑-1-基)苯甲酸甲酯

CAS 101184-08-1 MFCD00127080

化学结构图

101184-08-1
SMILES: COC(=O)C1C=CC(=CC=1)N1C=NC=C1

化学属性

Mol. FormulaC11H10N2O2
Mol. Weight202
Melting Point124-127 °C(lit.)

别名和识别编码

Chemical NameMethyl 4-(1H-Imidazol-1-Yl)Benzoate
CAS Number101184-08-1
Alfabeta NameMETHYLIMIDAZOLYLBENZENECARBOXYLATE H411()----
MDL NumberMFCD00127080
PubChem Substance ID24871306
Synonym 4-(1H-咪唑-1-基)苯甲酸甲酯
Chemical Name Translation4-(1H-咪唑-1-基)苯甲酸甲酯
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分类

  • {SNA} Building Blocks, C9 to C30+, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles
  • {SA} Building Blocks, C9 to C30+, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • P305+P351+P338
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
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xi
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

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 Acceptors
3
Rotatable Bonds
3
H-bond Donors
0
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. Imidazoles 咪唑
  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. Imidazoles 咪唑

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