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539112

4-Bromo-1-fluoro-2-nitrobenzene

96%

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About This Item

Linear Formula:
BrC6H3(F)NO2
CAS Number:
364-73-8
Molecular Weight:
220.00
NACRES:
NA.22
PubChem Substance ID:
24878380
UNSPSC Code:
12352100
MDL number:
MFCD00129165
Assay:
96%
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Quality Level

100

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

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.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW3721
MKCL6565
MKBW8750V
MKBW3201V
MKBT6168V

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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
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Global Trade Item Number

SKUGTIN
539112-25G04061836827434