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About This Item
Linear Formula:
BrC6H3(F)NO2
CAS Number:
Molecular Weight:
220.00
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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.)
SMILES string
[O-][N+](=O)c1cc(Br)ccc1F
InChI
1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI key
UQEANKGXXSENNF-UHFFFAOYSA-N
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.
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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.
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
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
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.
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