1,3-Difluoro-2-nitrobenzene
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1,3-Difluoro-2-nitrobenzene
structure -
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CAS No:
19064-24-5
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Formula:
C6H3F2NO2
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Chemical Name:
1,3-Difluoro-2-nitrobenzene
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Synonyms:
Benzene,1,3-difluoro-2-nitro-;1,3-Difluoro-2-nitrobenzene;2,6-Difluoronitrobenzene;2,6-Difluoro-1-nitrobenzene
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CAS No:
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
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]
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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