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ChemicalBook--->CAS DataBase List--->1352244-77-9

1352244-77-9

1352244-77-9 Structure

1352244-77-9 Structure
IdentificationBack Directory
[Name]

2-nitro-4-bromo-5-fluoroanisole
[CAS]

1352244-77-9
[Synonyms]

2-nitro-4-bromo-5-fluoroanisole
4-Bromo-5-fluoro-2-nitroanisole
1-bromo-2-fluoro-4-methoxy-5-nitrobenzene
Benzene, 1-bromo-2-fluoro-4-methoxy-5-nitro-
[Molecular Formula]

C7H5BrFNO3
[MDL Number]

MFCD11847609
[MOL File]

1352244-77-9.mol
[Molecular Weight]

250.02
Chemical PropertiesBack Directory
[Boiling point ]

290.5±35.0 °C(Predicted)
[density ]

1.716±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[Appearance]

White to yellow Solid
[InChI]

InChI=1S/C7H5BrFNO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
[InChIKey]

DHSGXAGGBXJPEL-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC([N+]([O-])=O)=C(OC)C=C1F
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-nitro-4-bromo-5-fluoroanisole(1352244-77-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Bromo-3-fluoroanisole

458-50-4

2-nitro-4-bromo-5-fluoroanisole

1352244-77-9

General procedure for the synthesis of 1-bromo-2-fluoro-4-methoxy-5-nitrobenzene from 4-bromo-3-fluoroanisole: To a solution of 1-bromo-2-fluoro-4-methoxybenzene (5.00 g, 24.39 mmol) in sulphuric acid (20.0 mL) was added potassium nitrate (2.47 g, 24.39 mmol) in batches at 0 °C. The reaction mixture was stirred continuously at 0°C for 0.5 hr. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio of petroleum ether: ethyl acetate = 3:1) to confirm the completion of the reaction. The reaction mixture was quenched by slowly pouring into ice water (50.0 mL) and extracted with ethyl acetate (100 mL x 2). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated to dryness under reduced pressure to afford 1-bromo-2-fluoro-4-methoxy-5-nitrobenzene (5.55 g, 90% yield) as a white solid.

[References]

[1] Patent: CN105330698, 2016, A. Location in patent: Paragraph 0566; 0567; 0568; 0569
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