Methyl 3-fluoro-4-nitrobenzoate 3-氟-4-硝基苯甲酸甲酯

CAS 185629-31-6 MFCD08444027

化学结构图

185629-31-6
SMILES: COC(=O)c1ccc([N+](=O)[O-])c(F)c1

化学属性

Mol. FormulaC8H6FNO4
Mol. Weight199.14
Melting Point59-61°

别名和识别编码

Chemical NameMethyl 3-fluoro-4-nitrobenzoate
CAS Number185629-31-6
Alfabeta NameMETHYLFLUORONITROBENZENECARBOXYLATE 34---
MDL NumberMFCD08444027
Synonym 3-Fluoro-4-nitrobenzoic acid methyl ester METHYL 3-FLUORO-4-NITROBENZENECARBOXYLATE METHYL 3-FLUORO-4-NITROBENZOATE Methyl 3-fluoro-4-nitrobenzoate 98% Methyl3-fluoro-4-nitrobenzoate98% methyl 3-fluoro-4-nitrobenzenecarboxylate
Chemical Name Translation3-氟-4-硝基苯甲酸甲酯
PubChem Substance ID329780413
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分类

  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, Chemical Synthesis, Fluorinated Building Blocks, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
1

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. Nitro Compounds 硝基化合物

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