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Home > Encyclopedia > Benzonitrile, 2,3-difluoro-5-nitro-

Benzonitrile, 2,3-difluoro-5-nitro-

Benzonitrile, 2,3-difluoro-5-nitro- structure

Benzonitrile, 2,3-difluoro-5-nitro- 

structure
  • CAS No:

    1247885-40-0

  • Formula:

    C7H2F2N2O2

  • Chemical Name:

    Benzonitrile, 2,3-difluoro-5-nitro-

  • Synonyms:

    2,3-Difluoro-5-nitrobenzonitrile;Benzonitrile, 2,3-difluoro-5-nitro-;SCHEMBL505035;DTXSID40728756;ZINC91301872;AK127477;AS-33310;AB0061073

  • Categories:

    Chemical Reagents  >  Organic Reagents

Benzonitrile, 2,3-difluoro-5-nitro- Basic Attributes

184.0997864

184.00800

DTXSID40728756

Characteristics

69.6

1.7

1.51±0.1 g/cm3(Predicted)

260.0±40.0 °C(Predicted)

Benzonitrile, 2,3-difluoro-5-nitro- Use and Manufacturing

2, 3-difluoro-5-nitrobenzonitrile (0272) At 0° C., to a solution of 2, 3-difluorobenzonitrile (20.8 g, 149.82 mmol) in sulfuric acid (100 mL) was added potassium nitrate (30.3 g, 299.59 mmol) in portions over 1 h period. The resulting solution was kept stirring for 2 h at 0° C. and then ice water (500 mL) was added. The resulting mixture was extracted with ethyl acetate (300 mL×3). The organic phases were combined, washed with brine and dried over sodium sulfate. The solvent was removed under reduced pressure and the residue was purified by flash chromatography eluting with ethyl acetate in hexane (0percent to 10percent gradient) to yield 2, 3-difluoro-5-nitrobenzonitrile as brown solid (3.6 g, 13percent).Potassium nitrate (404 mg, 4.0 mmol) to a solution of 2, 3- difluorobenzonitrile (278 mg, 2.0 mmol) in sulfuric acid (2 mL) at 0

Computed Properties

Molecular Weight:184.10
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Exact Mass:184.00843363
Monoisotopic Mass:184.00843363
Topological Polar Surface Area:69.6
Heavy Atom Count:13
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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