2-Nitro-3-(trifluoromethyl)phenol 2-硝基-3-三氟甲基苯酚

CAS 386-72-1 MFCD08282784

化学结构图

386-72-1
SMILES: O=[N+]([O-])c1c(O)cccc1C(F)(F)F

化学属性

Mol. FormulaC7H4F3NO3
Mol. Weight207.11
Melting Point69-71°
Boiling Point236.4±40.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Nitro-3-(trifluoromethyl)phenol
CAS Number386-72-1
Alfabeta NameNITROTRIFLUOROMETHYLPHENOL 23()---
MDL NumberMFCD08282784
Chemical Name Translation2-硝基-3-三氟甲基苯酚
PubChem Substance ID23423079
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-2-1-3-5(12)6(4)11(13)14/h1-3,12H
LabNetwork Molecule IDLN00162080
Synonym 2-Nitro-3-(trifluoromethyl)phenol {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESOC1=CC=CC(C(F)(F)F)=C1[N+]([O-])=O
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分类

  • {KO} Nitros
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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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