Methyl 3-methoxy-4-nitrobenzoate 3-甲氧基-4-硝基苯甲酸甲酯

CAS 5081-37-8 MFCD00051967

化学结构图

5081-37-8
SMILES: COC(=O)c1ccc([N+](=O)[O-])c(OC)c1

化学属性

Mol. FormulaC9H9NO5
Mol. Weight211.17
Melting Point86-88 °C
TSCANo
Boiling Point350.7 °C at 760 mmHg

别名和识别编码

Chemical NameMethyl 3-methoxy-4-nitrobenzoate
CAS Number5081-37-8
Alfabeta NameMETHYLMETHOXYNITROBENZENECARBOXYLATE 34---
MDL NumberMFCD00051967
Synonym Methyl 3-methoxy-4-nitrobenzoate {LY} Methyl 3-methoxy-4-nitrobenzoate {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number2856207
Chemical Name Translation3-甲氧基-4-硝基苯甲酸甲酯
LabNetwork Molecule IDLN00149739
PubChem Substance ID287308
InChIInChI=1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3
Canonical SMILESO=C(OC)C1=CC=C([N+]([O-])=O)C(OC)=C1
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Hazard Codes Xi
GHS Symbol
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
0
LogP
1

其他信息

  • MOL 文件:5081-37-8.mol
  • Hazard Note:Irritant
  • 3-甲氧基-4-硝基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B23196 3-甲氧基-4-硝基苯甲酸甲酯, 98% Methyl 3-methoxy-4-nitrobenzoate, 98% 5g 2814元 2010/05/25 B23196 3-甲氧基-4-硝基苯甲酸甲酯, 98% Methyl 3-methoxy-4-nitrobenzoate, 98% 1g 720元
  • Alfa Aesar:3-甲氧基-4-硝基苯甲酸甲酯,98% Methyl 3-methoxy-4-nitrobenzoate, 98%(5081-37-8)

系列性分类