CAS 400-66-8 MFCD14560537-2-Bromo-4-Nitro-6-(Trifluoromethyl)Aniline 2-溴-4-硝基-6-(三氟甲基)苯胺 TAO{mole}

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

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

化学属性

Mol. Weight	285.02
Mol. Formula	C7H4BrF3N2O2
Melting Point	140-142 °C
Boiling Point	306.8±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name	2-Bromo-4-Nitro-6-(Trifluoromethyl)Aniline
CAS Number	400-66-8
Alfabeta Name	BROMONITROTRIFLUOROMETHYLANILINE 246()-----
MDL Number	MFCD14560537
Chemical Name Translation	2-溴-4-硝基-6-(三氟甲基)苯胺
LabNetwork Molecule ID	LN00157595
PubChem Substance ID	11471654
InChI	InChI=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 SMILES	C1=C(C=C(C(=C1C(F)(F)F)N)Br)[N+](=O)[O-]

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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

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP