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Merck
CN

539112

4-溴-1-氟-2-硝基苯

96%

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线性分子式:
BrC6H3(F)NO2
化学文摘社编号:
分子量:
220.00
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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产品名称

4-溴-1-氟-2-硝基苯, 96%

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

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.

General description

4-Bromo-1-fluoro-2-nitrobenzene undergoes Sonogashira reaction with 2-fluoronitrobenzene to afford predominantly the bromo displacement product.

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

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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
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
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
Stephen M Lynch et al.
Bioorganic & medicinal chemistry letters, 25(1), 43-47 (2014-12-04)
We have identified two related series of dibenzazepine and dibenzoxazepine sodium channel blockers, which showed good potency on Nav1.7 in FLIPR-based and electrophysiological functional assays.
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.

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