1-Bromo-2,5-difluorobenzene
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1-Bromo-2,5-difluorobenzene
structure -
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CAS No:
399-94-0
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Formula:
C6H3BrF2
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Chemical Name:
1-Bromo-2,5-difluorobenzene
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Synonyms:
Benzene,2-bromo-1,4-difluoro-;2-Bromo-1,4-difluorobenzene;1-Bromo-2,5-difluorobenzene;2,5-Difluoro-1-bromobenzene;2,5-Difluorobromobenzene;NSC 10250
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CAS No:
1-Bromo-2,5-difluorobenzene Basic Attributes
192.99
192.99
1680893
206-920-0
10250
DTXSID50192949
29039990
Characteristics
0
3
Clear, colorless liquid.
1.7±0.1 g/cm3
-31.5 °C (approx)
58-58.5 °C @ Press: 20 Torr
149 °F
1.507
H2O: Insoluble
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
Safety Information
IRRITANT, FLAMMABLE
UN2922
3
36/37/38
26-36/37/39-2637/39-37/39
Xi,F,Xn
Flammable
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
1-Bromo-2,5-difluorobenzene Use and Manufacturing
General procedure: A FEP or PFA reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with substituted benzene (0.95–1.10 mmol), 1, 1, 1, 3, 3-pentafluorobutane (1–2 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.5 mmol per mmol of C6H5R). The mixture was stirred for 10–15 min at 0–5°C (ice bath), and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. After addition of each portion, the mixture was stirred for 3–5 min at 22–25°C and cooled again. When the addition was complete the dark solution was stirred for 15–30 min at 22–25°C, 10percent aqueous KHCO3 was added, and the upper organic layer was separated, passed through a short column charged with silica gel (40–60 μm), and dried over MgSO4. The solution was analyzed by 19F NMR and GC/MS. The main products are given in table, and the others are listed below (GC/MS data).
Used as medicine, pesticide, liquid crystal material intermediate
Computed Properties
Molecular Weight:192.99
XLogP3:3
Hydrogen Bond Acceptor Count:2
Exact Mass:191.93862
Monoisotopic Mass:191.93862
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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