InChI
1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
SMILES string
[O-][N+](=O)c1cc(Br)ccc1F
InChI key
UQEANKGXXSENNF-UHFFFAOYSA-N
assay
96%
refractive index
n20/D 1.575 (lit.)
bp
240-241 °C (lit.)
mp
18-19 °C (lit.)
density
1.786 g/mL at 25 °C (lit.)
functional group
bromo, fluoro, nitro
Quality Level
General description
4-Bromo-1-fluoro-2-nitrobenzene undergoes Sonogashira reaction with 2-fluoronitrobenzene to afford predominantly the bromo displacement product.
Application
4-Bromo-1-fluoro-2-nitrobenzene may be used in the synthesis of:
- 6-bromo-1H-benzo[d][1,2,3]triazol-1-ol
- 2-(4-bromo-2-nitrophenylamino)-5-methylthiophene-3-carbonitrile
- dibenzoxazepine analog, as potent sodium channel blocker
- 4-(4-bromo-2-nitrophenyl)piperazine-1-carboxylic acid tert-butylester
Used in the synthesis of anti-inflammatory agents.
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Katie M Lutker et al.
Crystal growth & design, 8(1), 136-139 (2008-01-01)
Bis(5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrilyl)acetylene, a derivative of the highly polymorphic compound 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY) that possesses two chromophores electronically coupled through a triple bond, was found to be trimorphic. Structural data for two of these forms indicates that symmetry is maintained in one structure
Patrick L DeRoy et al.
Organic letters, 9(14), 2741-2743 (2007-06-08)
The nucleophilic aromatic substitution reaction between electron-deficient aryl fluorides and terminal alkynes is shown to be efficiently promoted by sodium bis(trimethylsilyl)amide as a base. Moderate to excellent yields of 2-ethynylnitrobenzene products can be obtained under mild conditions.
Venkateshwarlu Gurram et al.
Advanced synthesis & catalysis, 357(2-3), 451-462 (2015-03-03)
Benzotriazoles are a highly important class of compounds with broad-ranging applications in such diverse areas as medicinal chemistry, as auxiliaries in organic synthesis, in metallurgical applications, in aircraft deicing and brake fluids, and as antifog agents in photography. Although there
Tomoki Kawai et al.
Nuclear medicine and biology, 40(5), 705-709 (2013-05-28)
As a first trial for in vivo imaging of β-secretase (BACE1) in Alzheimer's disease brain, we applied a novel non-peptidergic small molecule which has high affinity to the enzyme, naphthalene-1-carboxylic acid (3'-chloro-4'-fluoro-4-piperazin-1-yl-biphenyl-3-yl)amide (NCFB) into positron emission tomography (PET) probe. In
Erik Rytter Ottosen et al.
Journal of medicinal chemistry, 46(26), 5651-5662 (2003-12-12)
We wish to report the synthesis and structure-activity relationship (SAR) of a series of 4-aminobenzophenones, as a novel compound class with high antiinflammatory activity. Our initial lead, (4-[(2-aminophenyl)amino]phenyl)(phenyl)methanone (3), was systematically optimized and resulted in compounds that potently inhibited the
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