Product Name

  • Name

    4-Bromo-2-fluorobiphenyl

  • EINECS 255-453-9
  • CAS No. 41604-19-7
  • Article Data14
  • CAS DataBase
  • Density 1.433 g/cm3
  • Solubility insoluble in water
  • Melting Point 39-41 °C(lit.)
  • Formula C12H8BrF
  • Boiling Point 298.8 °C at 760 mmHg
  • Molecular Weight 251.098
  • Flash Point 138.3 °C
  • Transport Information UN 3152 9/PG 2
  • Appearance clear to yellow crystal
  • Safety 36/37/39
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 41604-19-7 (4-Bromo-2-fluorobiphenyl)
  • Hazard Symbols HarmfulXn
  • Synonyms 2-Fluoro-4-bromo biphenyl;4-Bromo-2-fluoro-1,1-biphenyl;4-Bromo-2-fluoro biphenyl;4-bromo-2-fluoro-1,1'-biphenyl;4-bromo-2-fluoro-1-phenyl-benzene;1,1'-Biphenyl, 4-bromo-2-fluoro-;2-Fluoro-4-bromo biphenyl;
  • PSA 0.00000
  • LogP 4.25520

Synthetic route

sodium carbonate
497-19-8

sodium carbonate

1-bromo-3-fluoro-4-iodobenzene
105931-73-5

1-bromo-3-fluoro-4-iodobenzene

phenylboronic acid
98-80-6

phenylboronic acid

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
palladium In fluorobenzene; nitrogen87%
Pd on carbon; palladium dichloride In fluorobenzene; concentrated ethanol55%
4-bromo-2-fluoroaniline
367-24-8

4-bromo-2-fluoroaniline

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
83%
4-bromo-2-fluoroaniline
367-24-8

4-bromo-2-fluoroaniline

benzene
71-43-2

benzene

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
With i-propyl nitrite; copper(l) chloride at 20℃; for 3h;76%
With methyl nitrite; copper(l) chloride at 43 - 50℃; for 1.83333h;75%
C12H8BF4(1-)*K(1+)

C12H8BF4(1-)*K(1+)

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
With pyridinium hydrobromide perbromide In tetrahydrofuran; water at 20℃; for 0.666667h; chemoselective reaction;74%
1-bromo-3-fluoro-4-iodobenzene
105931-73-5

1-bromo-3-fluoro-4-iodobenzene

phenylboronic acid
98-80-6

phenylboronic acid

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 5h; Reflux;70%
C6H3BrFN2(1+)*C7H7O3S(1-)

C6H3BrFN2(1+)*C7H7O3S(1-)

phenylboronic acid
98-80-6

phenylboronic acid

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
With palladium diacetate In water at 20℃; for 72h; Suzuki-Miyaura Coupling; Inert atmosphere;30%
4-bromo-2-fluoroaniline
367-24-8

4-bromo-2-fluoroaniline

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In methanol; water; acetic acid; benzene64.6 grams (51.5%)
With hydrogenchloride; sodium nitrite In methanol; water; acetic acid; benzene64.6 grams (51.5%)
fluoroboric acid

fluoroboric acid

4-bromo-2-amino-1,1'-biphenyl
41604-22-2

4-bromo-2-amino-1,1'-biphenyl

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

2-phenylpropionic acid methyl ester
31508-44-8

2-phenylpropionic acid methyl ester

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

methyl α-(3-fluoro-4-phenylphenyl)-α-phenylpropionate

methyl α-(3-fluoro-4-phenylphenyl)-α-phenylpropionate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; P(dba)2 In toluene at 20℃; for 15h;97%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

zinc(II) chloride
7646-85-7

zinc(II) chloride

(2-fluoro-[1,1'-biphenyl]-4-yl)zinc chloride

(2-fluoro-[1,1'-biphenyl]-4-yl)zinc chloride

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 25℃; Schlenk technique; Inert atmosphere;
Stage #2: zinc(II) chloride In tetrahydrofuran at 0 - 25℃; for 0.25h; Schlenk technique; Inert atmosphere;
96%
With magnesium; lithium chloride In tetrahydrofuran at 0℃; Inert atmosphere;
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 20℃; Inert atmosphere; Schlenk technique; Heating;
Stage #2: zinc(II) chloride In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Schlenk technique;
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

phenylacetylene
536-74-3

phenylacetylene

(4-phenyl-3-fluoro-phenyl)phenylacetylene

(4-phenyl-3-fluoro-phenyl)phenylacetylene

Conditions
ConditionsYield
With potassium carbonate; palladium dichloride; catacxium A In N,N-dimethyl-formamide at 60℃; for 16h; Sonogashira Cross-Coupling; Inert atmosphere; Sealed tube;96%
potassium 2-cyanopropanoate
1266802-94-1

potassium 2-cyanopropanoate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

α-methyl-(2-fluoro-4-biphenylyl)acetonitrile
74648-00-3

α-methyl-(2-fluoro-4-biphenylyl)acetonitrile

Conditions
ConditionsYield
With bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,3,5-trimethyl-benzene at 20 - 140℃; for 3.16667h; Inert atmosphere; Sealed tube; chemoselective reaction;95%
9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine

9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

N-(2-fluoro-[1,1'-biphenyl]-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine

N-(2-fluoro-[1,1'-biphenyl]-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine

Conditions
ConditionsYield
With 1,1'-bis(diisopropylphosphino)ferrocene; Pd(dippf)maleimide; sodium t-butanolate In toluene at 120℃; for 24h; Inert atmosphere;94%
acetic acid tert-butyl ester
540-88-5

acetic acid tert-butyl ester

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

tert-butyl α-(3-fluoro-4-phenylphenyl)acetate

tert-butyl α-(3-fluoro-4-phenylphenyl)acetate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 15h;93%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

2-fluorobiphenyl
321-60-8

2-fluorobiphenyl

Conditions
ConditionsYield
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; for 46h; Autoclave;93%
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr;93%
With lithium aluminium tetrahydride; niobium pentachloride In 1,2-dimethoxyethane for 0.5h; Heating;40%
With iron(III)-acetylacetonate; tert-butylmagnesium chloride In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere;86 %Chromat.
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

trimethylsilylacetylene
1066-54-2

trimethylsilylacetylene

3-fluoro-4-phenyl-1-ethynylbenzene

3-fluoro-4-phenyl-1-ethynylbenzene

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene; trimethylsilylacetylene With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 55℃; for 24h; Sonogashira Cross-Coupling; Inert atmosphere; Schlenk technique; Sealed tube;
Stage #2: With potassium carbonate In tetrahydrofuran; methanol at 20℃; for 2h; Inert atmosphere; Schlenk technique; Sealed tube;
93%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

diethyl malonate
105-53-3

diethyl malonate

diethyl 2-(2-fluorobiphenyl-4-yl)malonate

diethyl 2-(2-fluorobiphenyl-4-yl)malonate

Conditions
ConditionsYield
With potassium phosphate; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene at 70℃; for 12h;91%
With sodium hydride; copper(I) bromide 1.) dioxane, 17-20 deg C, 2.) dioxane, reflux, 6 h; Yield given. Multistep reaction;
Methyl isobutyrate
547-63-7

Methyl isobutyrate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

methyl 2-­(2-­fluoro-­[1,1'-­biphenyl]-­4-­yl)-­2-­methylpropanoate

methyl 2-­(2-­fluoro-­[1,1'-­biphenyl]-­4-­yl)-­2-­methylpropanoate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 14h;91%
ethene
74-85-1

ethene

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

4-ethenyl-2-fluorobiphenyl
63444-55-3

4-ethenyl-2-fluorobiphenyl

Conditions
ConditionsYield
With 10H-phenothiazine; bis(μ-chloro)bis{(2-(1-(hydroxyimino)methyl)phenyl-C1,N)palladium(II)}; potassium acetate In N,N-dimethyl acetamide at 105℃; under 760.051 Torr; for 18h; Heck-Mizoroki reaction; Inert atmosphere;91%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

pinacol vinylboronate
75927-49-0

pinacol vinylboronate

4-ethenyl-2-fluorobiphenyl
63444-55-3

4-ethenyl-2-fluorobiphenyl

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane; water Inert atmosphere; Reflux;91%
With PdCl2((S)-Xyl-phanephos); potassium carbonate In 1,4-dioxane; water at 101℃; for 17h; Inert atmosphere;59%
Suzuki Coupling;
1,1-bis(trimethylsilyloxy)prop-1-ene
31469-22-4

1,1-bis(trimethylsilyloxy)prop-1-ene

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

fluorobiprofen
5104-49-4

fluorobiprofen

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With zinc(II) fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene for 0.666667h; Inert atmosphere;
Stage #2: 1,1-bis(trimethylsilyloxy)prop-1-ene In tetrahydrofuran; N,N-dimethyl-formamide; toluene at 80℃; for 12h; Sealed tube; Inert atmosphere;
91%
tert-butyl propionate
20487-40-5

tert-butyl propionate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

tert-butyl α-(3-fluoro-4-phenylphenyl)propionate

tert-butyl α-(3-fluoro-4-phenylphenyl)propionate

Conditions
ConditionsYield
Stage #1: tert-butyl propionate With palladium diacetate; lithium hexamethyldisilazane; DavePhos In hexanes; toluene at -10℃; Inert atmosphere;
Stage #2: 1-bromo-3-fluoro-4-phenylbenzene In hexanes; toluene at -10 - 80℃; Inert atmosphere;
90%
With palladium diacetate; lithium hexamethyldisilazane; DavePhos In toluene at 80℃; for 0.333333h;86%
With 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazolium tetrafluoroborate; sodium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 12h;66%
methyl cyclohexylcarboxylate
4630-82-4

methyl cyclohexylcarboxylate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

methyl α-(3-fluoro-4-phenylphenyl)cyclohexanecarboxylate

methyl α-(3-fluoro-4-phenylphenyl)cyclohexanecarboxylate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 18h;90%
benzyl 2-methylpropanoate
103-28-6

benzyl 2-methylpropanoate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

benzyl α-(3-fluoro-4-phenylphenyl)isobutyrate

benzyl α-(3-fluoro-4-phenylphenyl)isobutyrate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 12h;90%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane
165904-22-3

4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane

2-fluoro-4-phenethylbiphenyl
1361022-83-4

2-fluoro-4-phenethylbiphenyl

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; ruphos In water; toluene at 80℃; for 24h; Suzuki coupling; Inert atmosphere;90%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

acetyl chloride
75-36-5

acetyl chloride

4-acetyl-4'-bromo-2'-fluorobiphenyl
53591-96-1

4-acetyl-4'-bromo-2'-fluorobiphenyl

Conditions
ConditionsYield
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature;88%
With aluminium trichloride In various solvent(s)
With sodium bicarbonate; aluminium trichloride In dichloromethane; water96 g (82.2%)
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

N-tosyl-1,2-oxazetidine

N-tosyl-1,2-oxazetidine

C21H20FNO3S

C21H20FNO3S

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With tert.-butyl lithium In tetrahydrofuran; pentane at -78 - -40℃; for 0.75h; Inert atmosphere;
Stage #2: N-tosyl-1,2-oxazetidine With N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; pentane at -55℃; for 1h; Inert atmosphere;
88%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

tetramethylammonium trifluoromethylselenate(0)
75264-92-5

tetramethylammonium trifluoromethylselenate(0)

(2-fluoro-[1,1'-biphenyl]-4-yl)(trifluoromethyl)selane

(2-fluoro-[1,1'-biphenyl]-4-yl)(trifluoromethyl)selane

Conditions
ConditionsYield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In tetrahydrofuran at 20℃; for 12h; Inert atmosphere;86%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

propionyl chloride
79-03-8

propionyl chloride

2-fluoro-4-bromo-4'-propionylbiphenyl
116831-22-2

2-fluoro-4-bromo-4'-propionylbiphenyl

Conditions
ConditionsYield
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature;85%
With aluminium trichloride In various solvent(s)
methanethiosulfonic acid S-methyl ester
2949-92-0

methanethiosulfonic acid S-methyl ester

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

2-fluoro-4-(methylthio)biphenyl
1187442-21-2

2-fluoro-4-(methylthio)biphenyl

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere;
Stage #2: methanethiosulfonic acid S-methyl ester In tetrahydrofuran at 0 - 25℃; Inert atmosphere;
Stage #3: In tetrahydrofuran
84%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

cyclohexanone
108-94-1

cyclohexanone

C18H19FO

C18H19FO

Conditions
ConditionsYield
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: cyclohexanone In tetrahydrofuran; hexane at -78 - 20℃; for 1.83333h; Inert atmosphere;
84%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

butyryl chloride
141-75-3

butyryl chloride

1-(4'-Bromo-2'-fluoro-biphenyl-4-yl)-butan-1-one
116831-23-3

1-(4'-Bromo-2'-fluoro-biphenyl-4-yl)-butan-1-one

Conditions
ConditionsYield
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature;83%
methyl 2-methylbutanoate
868-57-5

methyl 2-methylbutanoate

1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

methyl α-(3-fluoro-4-phenylphenyl)-α-methyl-butyrate

methyl α-(3-fluoro-4-phenylphenyl)-α-methyl-butyrate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 10h;83%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

tert-butyl (3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)hex-5-enoate
230961-69-0

tert-butyl (3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)hex-5-enoate

A

tert-butyl (3R,5Z)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hex-5-enoate

tert-butyl (3R,5Z)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hex-5-enoate

B

C37H45FN2O4

C37H45FN2O4

C

tert-butyl (3R,5E)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hex-5-enoate
230962-25-1

tert-butyl (3R,5E)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hex-5-enoate

Conditions
ConditionsYield
A n/a
B n/a
C 83%
1-bromo-3-fluoro-4-phenylbenzene
41604-19-7

1-bromo-3-fluoro-4-phenylbenzene

phenylboronic acid
98-80-6

phenylboronic acid

2'-fluoro-1,1':4',1''-terphenyl
113770-42-6

2'-fluoro-1,1':4',1''-terphenyl

Conditions
ConditionsYield
With potassium carbonate In ethanol; water at 75℃; for 12h; Suzuki-Miyaura Coupling;83%
With potassium carbonate In ethanol; water for 0.333333h; Catalytic behavior; Suzuki-Miyaura Coupling; Heating; Green chemistry;60%

4-Bromo-2-fluorobiphenyl Specification

The 2-Fluoro-4-bromo biphenyl, with the CAS registry number 41604-19-7 and EINECS registry number 255-453-9, has the systematic name of 4-bromo-2-fluoro-1-phenylbenzene. It is a kind of clear to yellow crystal, and belongs to the following product categories: Blocks; Bromides; Fluoro Compounds; Fluoro-Aromatics; Pharmaceutical intermediates; Biphenyl derivatives; Biphenyl & Diphenyl ether; Aryl; C9 to C12; Halogenated Hydrocarbons. The molecular formula of this chemical is C12H8BrF. What's more, it is usually used as medicine intermediate.

The physical properties of 2-Fluoro-4-bromo biphenyl are as following: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7170.13; (6)ACD/BCF (pH 7.4): 7170.13; (7)ACD/KOC (pH 5.5): 20016; (8)ACD/KOC (pH 7.4): 20016; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 58.52 cm3; (15)Molar Volume: 175.1 cm3; (16)Polarizability: 23.2×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.433 g/cm3; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.

Uses of 2-Fluoro-4-bromo biphenyl: It can react with propionyl chloride to produce 1-(4'-bromo-2'-fluoro-biphenyl-4-yl)-propan-1-one. This reaction will need reagent anhydrous aluminium chloride. The reaction time is 16 hours with ambient temperature, and the yield is about 85%.

2-Fluoro-4-bromo biphenyl can react with propionyl chloride to produce 1-(4'-bromo-2'-fluoro-biphenyl-4-yl)-propan-1-one

It is harmful if swallowed. Therefore, you had better wear suitable protective clothing, gloves and eye/face protection while dealing with this chemical.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(F)c(c1ccccc1)cc2
(2)InChI: InChI=1/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: HTRNHWBOBYFTQF-UHFFFAOYAH

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