ChemicalBook--->CAS DataBase List--->1481-68-1

1481-68-1

1481-68-1 Structure

1481-68-1 Structure
IdentificationMore
[Name]

2,4-Difluoro-5-chloronitrobenzene
[CAS]

1481-68-1
[Synonyms]

2,4-DIFLUORO-5-CHLORO NITROBENZENE
5-CHLORO-2,4-DIFLUORONITROBENZENE
1-chloro-2,4-difluoro-5-nitrobenzene
5-Chloro-2,4-difluoronitrobenz
[EINECS(EC#)]

216-040-9
[Molecular Formula]

C6H2ClF2NO2
[MDL Number]

MFCD06658249
[Molecular Weight]

193.54
[MOL File]

1481-68-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

105 °C(Press: 15 Torr)
[density ]

1.591±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to brown Liquid
[InChI]

InChI=1S/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
[InChIKey]

UIOYEIHBWQTVJC-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC([N+]([O-])=O)=C(F)C=C1F
[CAS DataBase Reference]

1481-68-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Skull and Crossbones (GHS06)
GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H373-H319-H301-H335-H311-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
[HS Code ]

2904990090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,2,4-Trichloro-5-nitrobenzene-->1-Chloro-2,4-difluorobenzene-->Potassium fluoride-->Sulfolane-->Ethyl acetate
[Preparation Products]

1,5-Dichloro-2,4-difluorobenzene-->5-Chloro-2,4-Difluoroaniline
Hazard InformationBack Directory
[Uses]

2,4-Difluoro-5-chloronitrobenzene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly in laboratory research and development processes and chemical production processes.
[Synthesis]

Synthesis_1481-68-1
Toluene was distilled from the mixture of potassium fluoride (38.2 g, 657 mmol), cetrimide (5.94 g, 17.6 mmol), DMF (250 mL), and dry toluene (100 mL) to remove traces of moisture. 2,4,5- Trichloronitrobenzene (7) (50.0 g, 220 mmol) was added and heated at 125 ??C for 12 h under N2. The reaction mixture was cooled, diluted with water, and extracted with ethyl acetate. The organic layer was washed with brine, dried (Na2SO4), and evaporated to give a residue, which was distilled under vacuo to provide 9 (23.5 g, 55%). bp = 83 ??C at 0.5 Torr, lit. bp) 85 ??C at 0.5 Torr; 1H NMR (CDCl3, 200 MHz) |? 7.18 (t, 1 H, J = 9.2 Hz), 8.24 (t, 1 H, J = 7.4 Hz).
[References]

[1] Synthetic Communications, 1994, vol. 24, # 4, p. 529 - 532
[2] Patent: US5576455, 1996, A
[3] Patent: US5294742, 1994, A
[4] Organic Process Research and Development, 2003, vol. 7, # 3, p. 309 - 312
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-Difluoro-5-chloronitrobenzene(1481-68-1)1HNMR
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