4-Bromo-4′-fluoro-1,1′-biphenyl
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4-Bromo-4′-fluoro-1,1′-biphenyl
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CAS No:
398-21-0
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Formula:
C12H8BrF
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Chemical Name:
4-Bromo-4′-fluoro-1,1′-biphenyl
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Synonyms:
1,1′-Biphenyl,4-bromo-4′-fluoro-;Biphenyl,4-bromo-4′-fluoro-;4-Bromo-4′-fluoro-1,1′-biphenyl;4-Bromo-4′-fluorobiphenyl;4-Fluoro-4′-bromobiphenyl;4′-Bromo-4-fluorobiphenyl;NSC 91565;1-Bromo-4-(4-fluorophenyl)benzene
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CAS No:
4-Bromo-4′-fluoro-1,1′-biphenyl Basic Attributes
251.09
251.09
206-909-0
XVY4JM8V79
91565
DTXSID10192869
2903999090
Safety Information
Ⅱ
9
UN 3152 9/PG 2
3
20/21/22-50/53-41
22-36/37/39-61-60-39-26
Xi,N
Irritant
P273-P280-P305 + P351 + P338-P501
H302-H318-H410
4-Bromo-4′-fluoro-1,1′-biphenyl Use and Manufacturing
2.50 g (10 mmol) of 4-bromo-4?-fluoro-l, l?-biphe- nyl, 5.11 g (10 mmol) of 2, 4-diphenyl-6-(4?-(4, 4, 5, 5-tetram- ethyl-i , 3, 2-dioxaborolan-2-yl)-[1 , 1 ?-biphenyl]-4-yl)-1 , 3, 5- triazine, 0.58 g (0.5 mmol) of Pd(PPh3)4, and 4.14 g (30 mmol) of K2C03 were dissolved in 60 mE of a mixed solution including THF and H20 (2/1) and stirred at a temperature of 80° C. for 16 hours. Then, the reaction solution was cooled to room temperature, and an organic layer was extracted therefrom three times by using 40 mE of water and 50 mE of ethylether. The extracted organic layer was dried by using magnesium sulfate, and a solvent was evaporated therefrom. Then, the residue obtained therefrom was separated and purified by silica gel column chromatography to obtain 4.39 g (yield: 79percent) of Compound 60. The obtained compound was identified by MS/FAR and 'H NMR. C39H26FN3 cal. 555.21, found 555.20.11.3 g (31.4 mmol, 1.0 eq.) of intermediate-4 and 7.9 g were added to a dry 3 L three-necked flask.(31.4 mmol, 1.0 eq.)
Computed Properties
Molecular Weight:251.09
XLogP3:5.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:249.97934
Monoisotopic Mass:249.97934
Heavy Atom Count:14
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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