2-Nitro-5-(trifluoromethyl)phenol 2-硝基-5-三氟甲基苯酚

CAS 402-17-5 MFCD08282785

化学结构图

402-17-5
SMILES: O=[N+]([O-])c1ccc(C(F)(F)F)cc1O

化学属性

Mol. FormulaC7H4F3NO3
Mol. Weight207.11
Boiling Point239.355°C at 760 mmHg
Melting PointBP: 108 - 111 @ 34mm Hg (°C)

别名和识别编码

Chemical Name2-Nitro-5-(trifluoromethyl)phenol
CAS Number402-17-5
Alfabeta NameNITROTRIFLUOROMETHYLBENZENOL 25()---
MDL NumberMFCD08282785
Chemical Name Translation2-硝基-5-三氟甲基苯酚
LabNetwork Molecule IDLN00151343
PubChem Substance ID14091690
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H
Synonym 2-Nitro-5-(trifluoromethyl)phenol {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-5-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESOC1=CC(C(F)(F)F)=CC=C1[N+]([O-])=O
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分类

  • {KO} Nitros
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
0
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. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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