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

1,3-Difluoro-2-nitrobenzene

1,3-Difluoro-2-nitrobenzene structure

1,3-Difluoro-2-nitrobenzene 

structure
  • CAS No:

    19064-24-5

  • Formula:

    C6H3F2NO2

  • Chemical Name:

    1,3-Difluoro-2-nitrobenzene

  • Synonyms:

    Benzene,1,3-difluoro-2-nitro-;1,3-Difluoro-2-nitrobenzene;2,6-Difluoronitrobenzene;2,6-Difluoro-1-nitrobenzene

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

1,3-Difluoro-2-nitrobenzene Basic Attributes

159.09

159.09

242-793-8

DTXSID00172559

2904909090

Characteristics

45.8

2

White liquid with light yellow

1.5±0.1 g/cm3

74 °C

91-92 °C11 mm Hg(lit.)

190 °F

1.510

Slightly soluble in water.

Safety Information

3

10-36/37/38

16-26-36-37/39

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

Methods of Manufacturing

Step 1: Step 1: A mixture of sodium perborate tetrahydrate (65 g, 422 mmol) in glacial acetic acid (250 mL) was stirred at 80° C. 2, 6-Difluoroaniline (11.0 g, 85 mmol) in glacial acetic acid (50 mL) was added slowly to the mixture. The temperature was maintained between 80-90° C. for 1 hour. The cooled reaction mixture was poured into water and extracted twice with diethyl ether. The combined organic layers were washed with a dilute solution of sodium bicarbonate, dried over anhydrous magnesium sulfate and evaporated. The residue was purified via Biotage chromatography (FlasH90i, silica, 10percent THF/hexane) and the product washed with hexane to afford 2, 6-difluoronitrobenzene (7.0 g) (52percent). MS (ESI) m/z 160 ([M+H]

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:159.09
XLogP3:2
Hydrogen Bond Acceptor Count:4
Exact Mass:159.01318466
Monoisotopic Mass:159.01318466
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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