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Home > Encyclopedia > 1,2-Difluoro-3-methoxy-4-nitrobenzene

1,2-Difluoro-3-methoxy-4-nitrobenzene

1,2-Difluoro-3-methoxy-4-nitrobenzene structure

1,2-Difluoro-3-methoxy-4-nitrobenzene 

structure
  • CAS No:

    66684-60-4

  • Formula:

    C7H5F2NO3

  • Chemical Name:

    1,2-Difluoro-3-methoxy-4-nitrobenzene

  • Synonyms:

    Benzene,1,2-difluoro-3-methoxy-4-nitro-;1,2-Difluoro-3-methoxy-4-nitrobenzene;1,2-Difluoro-3-(methyloxy)-4-nitrobenzene

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

1,2-Difluoro-3-methoxy-4-nitrobenzene Basic Attributes

189.1165

189.12

DTXSID70382269

2909309090

Characteristics

55

1.9

1.4±0.1 g/cm3

78-79/20mm

110.4±25.9 °C

1.502

Safety Information

20/21/22-36/37/38

26-36/37/39

Xi

Irritant

1,2-Difluoro-3-methoxy-4-nitrobenzene Use and Manufacturing

Intermediate B92: 3-fluoro-4-[4-(1 -methylethyl)-1 -piperazinyl]-2- (methyloxy)aniline; Step A/Intermediate B93: 1 , 2-difluoro-3-(methyloxy)-4-nitrobenzene; To a solution of 2, 3-difluoro-6-nitrophenol (15.01g, 85.8 mmol) in anhydrous dimethylformamide (120 mL) was cautiously added potassium carbonate (16.6g, 120 mmol) and methyl iodide (6.63 mL, 107 mmol). The resulting suspension was stirred overnight. The next morning the reaction was poured into water and extracted twice with diethyl ether. The organic layers were washed twice with 5percent LiCI, dried over sodium sulfate. The solvents were removed under reduced pressure to afford 1 , 2- difluoro-3-(methyloxy)-4-nitrobenzene as a yellow oil (14.7g, 91percent yield). 1 H NMR (400 MHz, CDCI

Computed Properties

Molecular Weight:189.12
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:189.02374935
Monoisotopic Mass:189.02374935
Topological Polar Surface Area:55
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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