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3456-75-5

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3456-75-5 Structure

3456-75-5 Structure
IdentificationBack Directory
[Name]

5-FLUORO-2-NITROPHENYLACETONITRILE
[CAS]

3456-75-5
[Synonyms]

2-(5-Fluoro-2-nitrophenyl)
2-fluoro-5-nitro benzylnitrile
5-FLUORO-2-NITROPHENYLACETONITRILE
5-Fluoro-2-nitrobenzeneacetonitrile
2-(5-fluoro-2-nitrophenyl)acetonitrile
5-Fluoro-2-nitrophenylacetonitrile 95%
Benzeneacetonitrile, 5-fluoro-2-nitro-
Acetonitrile, (5-fluoro-2-nitrophenyl)-
2-(5-fluoro-2-nitro-phenyl)acetonitrile
2-(5-fluoro-2-nitro-phenyl)ethanenitrile
Acetonitrile, 2-(5-fluoro-2-nitrophenyl)-
Ethanol,2-[[(7-methoxyphenyl)methyl]amino]-
2-(5-fluoro-2-nitrophenyl)acetonitrile - [F86534]
[Molecular Formula]

C8H5FN2O2
[MDL Number]

MFCD00039742
[MOL File]

3456-75-5.mol
[Molecular Weight]

180.14
Chemical PropertiesBack Directory
[Melting point ]

70-72°C
[Boiling point ]

303.6±27.0 °C(Predicted)
[density ]

1.367±0.06 g/cm3(Predicted)
[RTECS ]

AM0200000
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H302-H312-H315-H319-H331-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[RIDADR ]

UN3439
[HazardClass ]

6.1
[PackingGroup ]

III
Spectrum DetailBack Directory
[Spectrum Detail]

5-FLUORO-2-NITROPHENYLACETONITRILE(3456-75-5)1HNMR
5-FLUORO-2-NITROPHENYLACETONITRILE(3456-75-5)1HNMR
5-FLUORO-2-NITROPHENYLACETONITRILE(3456-75-5)19FNMR
Hazard InformationBack Directory
[Synthesis]

Potassium tert-butoxide (4.26 g, 37.97 mmol) was suspended in DMF (25 mL) at -25°C, and a solution of compounds 4-Fluoronitrobenzene and 2-(4-Bromophenoxy)-acetonitrile in DMF (25 mL) was added dropwise. The mixture was stirred for 2.5 hours and then transferred into aqueous HCl. The solution was extracted with EtOAc, and the combined organic phases were washed with a diluted solution of Na2CO3, then washed with a 5% LiCl solution, brine and dried over Na2SO4 and the solvent removed under reduced atmosphere. Column chromatography (mobile phase: 5% EtOAc/petroleum ether to 40% EtOAc/petroleum ether) yields a yellow solid 5-FLUORO-2-NITROPHENYLACETONITRILE.
5-FLUORO-2-NITROPHENYLACETONITRILE
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