2-Bromo-4-Nitro-6-(Trifluoromethyl)Aniline 2-溴-4-硝基-6-(三氟甲基)苯胺

CAS 400-66-8 MFCD14560537

化学结构图

400-66-8
SMILES: Nc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F

化学属性

Mol. Weight285.02
Mol. FormulaC7H4BrF3N2O2
Melting Point140-142 °C
Boiling Point306.8±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Bromo-4-Nitro-6-(Trifluoromethyl)Aniline
CAS Number400-66-8
Alfabeta NameBROMONITROTRIFLUOROMETHYLANILINE 246()-----
MDL NumberMFCD14560537
Chemical Name Translation2-溴-4-硝基-6-(三氟甲基)苯胺
LabNetwork Molecule IDLN00157595
PubChem Substance ID11471654
InChIInChI=1S/C7H4BrF3N2O2/c8-5-2-3(13(14)15)1-4(6(5)12)7(9,10)11/h1-2H,12H2
Synonym 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-nitro-6-(trifluoromethyl
Canonical SMILESC1=C(C=C(C(=C1C(F)(F)F)N)Br)[N+](=O)[O-]
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分类

  • {KO} Nitros
  • {KO} Anilines

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
2
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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