1-Bromo-3-fluorobenzene
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1-Bromo-3-fluorobenzene
structure -
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CAS No:
1073-06-9
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Formula:
C6H4BrF
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Chemical Name:
1-Bromo-3-fluorobenzene
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Synonyms:
Benzene,1-bromo-3-fluoro-;1-Bromo-3-fluorobenzene;1-Fluoro-3-bromobenzene;m-Bromofluorobenzene;m-Fluorobromobenzene;m-Fluorophenyl bromide;3-Bromofluorobenzene;3-Fluorobromobenzene;3-Fluorophenyl bromide;3-Fluoro-1-bromobenzene;m-Bromofluorobenzene;3-Bromo-1-fluorobenzene;NSC 10267
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CAS No:
Characteristics
0
3.2
clear colourless tolight yellow liquid
1.5862 g/cm3 @ Temp: 25.00 °C
-8°C
150 °C
102 °F
n 20/D 1.526(lit.)
H2O: 0.4g/l
Flammables area
5.65mmHg at 25°C
Safety Information
III
3
UN 1993 3/PG 3
2
3
26-36-37/39-16
DA1225000
Xn,F,Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P305 + P351 + P338
H226-H302-H315-H319
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 78 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-3-fluorobenzene Use and Manufacturing
General procedure: A mixture of diaryliodonium salt (0.5 mmol), cuproushalide (0.75 mmol) and CH3CN (1mL) was taken in a 10mL reaction tube and heated at 80°C temperature for 2 hoursunder vigorous stirring. After completion of the reaction(observed on TLC or GC) the reaction mass was cooled toroom temperature, and 5 ml of water was added. The mixturewas stirred for 10 mins, the product was extracted with ethylacetate (3 * 10mL). The organic layer was washed withwater and dried over anhydrous sodium sulphate. Solventwas evaporated under reduced pressure to obtain the product.The crude product was purified on silica gel column by usingpetroleum ether and ethyl acetate as solvents to obtain thepure product. The obtained product was analyzed by 1HNMR, 13C NMR.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).
Intermediates of Liquid Crystals
Benzene, 1-bromo-3-fluoro-: ACTIVE
Computed Properties
Molecular Weight:175.00
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:173.94804
Monoisotopic Mass:173.94804
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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