3-Bromofluorobenzene supplier

Name
3-Bromofluorobenzene
EINECS 214-023-0
CAS No. 1073-06-9
Article Data23
CAS DataBase
Density 1.593 g/cm³
Solubility insoluble in water
Melting Point -8 °C
Formula C₆H₄BrF
Boiling Point 150 °C at 760 mmHg
Molecular Weight 175
Flash Point 38.9 °C
Transport Information UN 1993 3/PG 3
Appearance clear colourless tolight yellow liquid
Safety 26-36-37/39-16
Risk Codes 10-22-36/38-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Bromo-3-fluorobenzene;1-Fluoro-3-bromobenzene;3-Bromo-1-fluorobenzene;3-Fluoro-1-bromobenzene;3-Fluorobromobenzene;3-Fluorophenyl bromide;NSC10267;m-Bromofluorobenzene;m-Fluorobromobenzene;
PSA 0.00000
LogP 2.58820

Synthetic route

: 1430342-19-0
(3-fluorophenyl)(mesityl)iodonium trifluoromethanesulfonate

: 1073-06-9
3-fluorobromobenzene

Conditions

Conditions	Yield
With copper(I) bromide In acetonitrile at 80℃; for 2h;	91%

: 2-fluoro-4-bromoaniline sulfate

: 1073-06-9
3-fluorobromobenzene

Conditions

Conditions	Yield
With copper(I) oxide; sulfuric acid; sodium nitrite In water; isopropyl alcohol at -10 - 0℃; for 5h; Temperature; Reagent/catalyst; Solvent;	82.7%

: 400-31-7
1,1,1-trifluoro-4-methyl-pent-3-en-2-one

: 2-bromo-4-fluoro-1-iodobenzene

A: 124445-98-3
2,2′-dibromo-4,4′-difluorobiphenyl

B: 1073-06-9
3-fluorobromobenzene

C: 1198785-52-2
4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one

D: 1429053-26-8
2-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpent-3-en-2-ol

E: 496-69-5
2-bromo-4-fluoro-phenol

Conditions

Conditions	Yield
Stage #1: 2-bromo-4-fluoro-1-iodobenzene With isopropylmagnesium chloride In tetrahydrofuran at -30 - -25℃; for 0.5h; Inert atmosphere; Large scale; Stage #2: 1,1,1-trifluoro-4-methyl-pent-3-en-2-one With copper(l) iodide In tetrahydrofuran at -30 - -25℃; for 4h; Inert atmosphere; Large scale;	A 0.5% B 16% C 75% D 5% E 0.5%

...Expand

: 108-86-1
bromobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1073-06-9
3-fluorobromobenzene

C: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With fluorine In trichlorofluoromethane at -78℃; for 1h;	A 23 % Chromat. B 17 % Chromat. C 60 % Chromat.
With fluorine In trichlorofluoromethane at -78℃; for 1h; Rate constant; Product distribution; competitive reaction with benzene;	A 23 % Chromat. B 17 % Chromat. C 60 % Chromat.
With xenon difluoride; boron trifluoride diethyl etherate In acetonitrile at -35 - 20℃; for 2.5h; Inert atmosphere; Overall yield = 56 %;

...Expand

: 625-98-9
3-chlorofluorobenzene

: 1073-06-9
3-fluorobromobenzene

Conditions

Conditions	Yield
With bromobenzene; Cu-HZSM-5 zeolite at 399.9℃; Mechanism; various catalysts;	14.3 % Chromat.

: 75-15-0
carbon disulfide

: 462-06-6
fluorobenzene

: 7726-95-6
bromine

aluminium: aluminium

A: 1072-85-1
o-fluorobromobenzene

B: 1073-06-9
3-fluorobromobenzene

C: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
at 55℃; Product distribution;

...Expand

: 56-23-5
tetrachloromethane

: 462-06-6
fluorobenzene

iodo monobromide: iodo monobromide

A: 1072-85-1
o-fluorobromobenzene

B: 1073-06-9
3-fluorobromobenzene

C: 352-34-1
4-fluoro-1-iodobenzene

D: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
Product distribution;

...Expand

: 462-06-6
fluorobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1073-06-9
3-fluorobromobenzene

C: 460-00-4
1-Bromo-4-fluorobenzene

D HBr: HBr

Conditions

Conditions	Yield
With bromine at 25℃; for 16h; Irradiation; Yield given;

...Expand

3-bromo-benzenediazonium-(1)-tetrafluoroborate: 3-bromo-benzenediazonium-(1)-tetrafluoroborate

: 1073-06-9
3-fluorobromobenzene

: 462-06-6
fluorobenzene

A: 1073-06-9
3-fluorobromobenzene

B 2-fluoro-1-bromo-benzene; 4-fluoro-1-bromo-benzene: 2-fluoro-1-bromo-benzene; 4-fluoro-1-bromo-benzene

Conditions

Conditions	Yield
With bromine at 400 - 700℃;

: 108-86-1
bromobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1000995-64-1
2-bromo-1-oxypentafluorosulfanylbenzene

C: 344455-90-9
4-bromo-1-oxypentafluorosulfanylbenzene

D: 3-bromo-1-oxypentafluorosulfanylbenzene

E: C6H3FBrOSF5

F: C6H3FBrOSF5

G: C6H3FBrOSF5

H: C6H3FBrOSF5

I: C6H3FBrOSF5

J: C6H3FBrOSF5

K: C6H3FBrOSF5

L: C6H3FBrOSF5

M: C6H3FBrOSF5

N: C6H3FBrOSF5

O: C6H4(OSF5)2

P: C6H4(OSF5)2

Q: C6H4(OSF5)2

R: 1073-06-9
3-fluorobromobenzene

S: 108-36-1
1,3-dibromobenzene

T: 106-37-6
1.4-dibromobenzene

U: 460-00-4
1-Bromo-4-fluorobenzene

V: 583-53-9
1,2-dibromobenzene

Conditions

Conditions	Yield
With bis(pentafluorosulfur) peroxide at 100℃; for 17h;

...Expand

: 1121-86-4
1-Fluoro-3-iodobenzene

: 1073-06-9
3-fluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid 2: copper(I) bromide / acetonitrile / 2 h / 80 °C View Scheme

: 108-86-1
bromobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 399-94-0
2-bromo-1,4-difluorobenzene

C: 1073-06-9
3-fluorobromobenzene

D: 348-61-8
1-bromo-3,4-difluorobenzene

E: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With xenon difluoride; boron trifluoride diethyl etherate at 0 - 25℃; Cooling with ice;	A 0.06 mmol B 0.01 mmol C 0.03 mmol D 0.004 mmol E 0.16 mmol

...Expand

: 1-bromo-3-fluoro-2-(dimethylsilyl)-benzene

: 100-52-7
benzaldehyde

A: 1073-06-9
3-fluorobromobenzene

B: (2-bromo-6-fluorophenyl)(phenyl)methanol

C: 65-85-0
benzoic acid

D: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran at 40℃; for 1h;

...Expand

: 1-bromo-3-fluoro-2-(dimethylsilyl)-benzene

: 1073-06-9
3-fluorobromobenzene

Conditions

Conditions	Yield
With water; sodium hydroxide In tetrahydrofuran at 40℃; for 1h;

: 348-54-9
2-Fluoroaniline

A: 1073-06-9
3-fluorobromobenzene

B: 1435-51-4
1,3-dibromo-5-fluorobenzene

Conditions

Conditions	Yield
Stage #1: 2-Fluoroaniline With sulfuric acid; dihydrogen peroxide; bromine at 10 - 15℃; for 0.5h; Stage #2: With nitrosylsulfuric acid at 5℃; for 2h; Overall yield = 80.8 %;

: 1073-06-9
3-fluorobromobenzene

: 109-94-4
formic acid ethyl ester

: 98586-21-1
bis(3-fluorophenyl)methanol

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With magnesium In tetrahydrofuran Stage #2: formic acid ethyl ester In tetrahydrofuran at 0 - 20℃;	100%
With magnesium In diethyl ether for 18h; Heating;	95%
Stage #1: 3-fluorobromobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: formic acid ethyl ester In tetrahydrofuran at -78 - 0℃; for 1h; Further stages.;

: 1073-06-9
3-fluorobromobenzene

: 93-61-8
N-methyl-N-phenylformamide

: 360575-28-6
2-bromo-6-fluorobenzaldehyde

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With hydrogenchloride; n-butyllithium; diisopropylamine In tetrahydrofuran; hexanes at -78 - -70℃; for 2.5h; Stage #2: N-methyl-N-phenylformamide In tetrahydrofuran; hexanes at -78 - -70℃; for 2h;	100%

: 884510-86-5
(R)-tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

: 1073-06-9
3-fluorobromobenzene

: 942142-91-8
(R)-tert-butyl 3-(3-fluorobenzoyl)piperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With magnesium In tetrahydrofuran at 50 - 60℃; for 1h; Stage #2: (R)-tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate In tetrahydrofuran at -78 - 20℃; for 1.5h; Stage #3: With water; ammonium chloride In tetrahydrofuran	100%

: 1073-06-9
3-fluorobromobenzene

: 98-80-6
phenylboronic acid

: 2367-22-8
3-fluorobiphenyl

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene; phenylboronic acid With potassium phosphate In isopropyl alcohol at 20℃; for 4h; Suzuki Coupling; Stage #2: [Pd2(μ-Cl)2{{(C2F5)2O}2H}2] In isopropyl alcohol at 20℃; for 20h; Suzuki Coupling;	100%
Stage #1: 3-fluorobromobenzene; phenylboronic acid With potassium phosphate In isopropyl alcohol at 20℃; for 2h; Suzuki coupling; Inert atmosphere; Stage #2: With Juliphos In isopropyl alcohol at 20℃; for 20h; Suzuki coupling; Inert atmosphere;	100%
With potassium phosphate tribasic trihydrate; 1-(tert-butyl)-2-(diphenylphosphaneyl)-1H-imidazole; palladium dichloride In ethanol at 60℃; for 1h; Suzuki Coupling; Inert atmosphere; Schlenk technique;	97%

: 1073-06-9
3-fluorobromobenzene

: 388061-72-1
3-[2-(trimethylsilylethynyl)]phenol

: 3-((3-fluorophenyl)ethynyl)phenol

Conditions

Conditions	Yield
Stage #1: 3-[2-(trimethylsilylethynyl)]phenol With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 3-fluorobromobenzene With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 80℃; for 24h;	100%

: 1073-06-9
3-fluorobromobenzene

: ammonium chloride

: 109-94-4
formic acid ethyl ester

: 98586-21-1
bis(3-fluorophenyl)methanol

Conditions

Conditions	Yield
With magnesium In tetrahydrofuran; water	99%

...Expand

: 1073-06-9
3-fluorobromobenzene

: 98-80-6
phenylboronic acid

: 321-60-8
2-fluorobiphenyl

Conditions

Conditions	Yield
With N-[2-(pyrazol-1-yl)phenyl]-N'-benzylimidazol-2-ylidene palladium chloride; caesium carbonate In water; isopropyl alcohol Reagent/catalyst; Suzuki-Miyaura Coupling;	99%

: 292638-84-7
styrene

: 1073-06-9
3-fluorobromobenzene

: 88741-06-4
1-Fluoro-3-((E)-styryl)-benzene

Conditions

Conditions	Yield
With N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-N'-benzylimidazol-2-ylidene palladium chloride; potassium carbonate In water; N,N-dimethyl-formamide Reagent/catalyst; Heck Reaction;	99%
With potassium phosphate; C34H46Br4N8Pd2 In N,N-dimethyl-formamide at 110℃; for 4h; Heck Reaction;	82%
With C74H61Cl2N3Pd; triethylamine In 1,4-dioxane for 10h; Heck Reaction;	77%

: 1073-06-9
3-fluorobromobenzene

: 73183-34-3
bis(pinacol)diborane

: 2-(3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With 10H-phenothiazine; caesium carbonate In acetonitrile for 48h; Irradiation; Sealed tube; Inert atmosphere;	99%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In dimethyl sulfoxide at 80℃; for 48h; Inert atmosphere;	31%
With {meso-1,3-bis(1-methylethyl)-4,5-(9,10-dihydroanthraceno)imidazolin-2-ylidene}copper(I) chloride; potassium tert-butylate In tert-butyl methyl ether at 25℃; for 4h; Inert atmosphere;	63 %Spectr.
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 110℃; for 0.166667h; Miyaura Borylation Reaction; Microwave irradiation;

: 1073-06-9
3-fluorobromobenzene

: 143360-89-8
o-(phenylethynyl)trifluoroacetanilide

: 3-(3-fluorophenyl)-2-phenyl-1H-indole

Conditions

Conditions	Yield
With caesium carbonate; tetrakis(triphenylphosphine) palladium(0) In acetonitrile at 100℃; for 0.5h;	98%
With caesium carbonate; tetrakis(triphenylphosphine) palladium(0) In acetonitrile at 100℃; for 3h;	98%

: 1436-43-7
quinoline-2-carbonitrile

: 1073-06-9
3-fluorobromobenzene

: 1177408-13-7
(3-fluorophenyl)(quinolin-2-yl)methanone

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With magnesium In tetrahydrofuran Inert atmosphere; Stage #2: quinoline-2-carbonitrile In tetrahydrofuran; toluene at 0 - 20℃; Inert atmosphere; Stage #3: With hydrogenchloride; water In diethyl ether for 0.333333h; Inert atmosphere;	98%

: 1073-06-9
3-fluorobromobenzene

: 504-02-9
1,3-cylohexanedione

: 2-(3-fluorophenyl)cyclohexane-1,3-dione

Conditions

Conditions	Yield
With potassium phosphate; palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine In 1,4-dioxane; tert-Amyl alcohol Inert atmosphere; Reflux;	98%
With potassium phosphate; palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine In 1,4-dioxane; tert-Amyl alcohol Inert atmosphere; Reflux;	98%

: 1073-06-9
3-fluorobromobenzene

: 4-cyclobutenylbenzeneboronic acid

: 4'-cyclobutenyl-3-fluorobiphenyl

Conditions

Conditions	Yield
With 18-crown-6 ether; palladium diacetate; potassium carbonate In ethanol; water at 40 - 72℃; for 4h; Inert atmosphere;	98%

: 1073-06-9
3-fluorobromobenzene

: C17H15F3O7S

: C22H19FO4

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In tetrahydrofuran; water at 80℃; for 10h; Inert atmosphere;	98%

: 929-59-9
3,6-dioxa-1,8-diaminooctane

: 1073-06-9
3-fluorobromobenzene

: C18H22F2N2O2

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane Inert atmosphere; Stage #2: 3,6-dioxa-1,8-diaminooctane With sodium t-butanolate In 1,4-dioxane for 8h; Reflux;	98%

: 1073-06-9
3-fluorobromobenzene

: 471-25-0
Propiolic acid

: 23349-16-8
1,2-bis(3-fluorophenyl)ethyne

Conditions

Conditions	Yield
With Na2{PdCl2(Ph2P(m-C6H4SO3))2}; sodium 3-(diphenylphosphanyl)benzenesulfonate; trimethyloctadecylammonium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In water for 20h; Heating;	97%
With bis-triphenylphosphine-palladium(II) chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane In dimethyl sulfoxide at 80℃; for 16h; Inert atmosphere;

: 1073-06-9
3-fluorobromobenzene

: 1523523-71-8
1-(S-phenylsulfonimidoyl)piperidine

: 1-[N-(3-fluorophenyl)-S-phenylsulfonimidoyl]piperidine

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 20 - 100℃; Inert atmosphere;	97%

: 1073-06-9
3-fluorobromobenzene

: 6-(6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-amine trifluoroacetate

: C21H20F4N4S

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; sodium t-butanolate In 1,4-dioxane at 110℃; for 2h; Inert atmosphere;	96%

: 540-88-5
acetic acid tert-butyl ester

: 1073-06-9
3-fluorobromobenzene

: 476429-07-9
tert-butyl α-(3-fluorophenyl)acetate

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 15h;	95%

: 1073-06-9
3-fluorobromobenzene

: 3536-97-8
diisopropylmagnesium

: C9H11FMg

Conditions

Conditions	Yield
at 20℃; for 3h;	95%

: 91-63-4
2-methylquinoline

: 1073-06-9
3-fluorobromobenzene

: 1334723-87-3
2-(3-fluorobenzyl)quinoline

Conditions

Conditions	Yield
Stage #1: 2-methylquinoline With zinc chloride-2,2,6,6-tetramethylpiperidin-1-ide lithium chloride complex In tetrahydrofuran at 25℃; for 1h; Inert atmosphere; Stage #2: 3-fluorobromobenzene With palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tetrahydrofuran at 50℃; for 1h; Inert atmosphere;	95%

: 1073-06-9
3-fluorobromobenzene

: 931-50-0
cyclohexylmagnesium bromide

: 1717-83-5
1-cyclohexyl-3-fluorobenzene

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II) In tetrahydrofuran for 0.0833333h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; Stage #2: cyclohexylmagnesium bromide With lithium bromide In tetrahydrofuran at 20℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	95%

: 1073-06-9
3-fluorobromobenzene

: 622-76-4
1-phenyl-1-butyne

: C16H15F

Conditions

Conditions	Yield
With chloro[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]copper(I); 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3,2-dioxaborolane; [PdCl2(N,N’-bis-[2,6-(diisopropyl)phenyl]imidazolidin-2-ylidene){P(N,N’-bis-[2,6-(diisopropyl)phenyl]imidazol-2-ylidene)3}]; potassium 2-methylbutan-2-olate In ethanol at 80℃; for 20h; Glovebox; regioselective reaction;	95%

: 1073-06-9
3-fluorobromobenzene

: 87199-17-5
4-formylphenylboronic acid,

: 400750-63-2
3'-fluoro[1,1'-biphenyl]-4-carbaldehyde

Conditions

Conditions	Yield
With C5H6N2Pd(2+)2Cl(1-); potassium carbonate In ethanol; water for 0.166667h; Suzuki-Miyaura Coupling; Reflux; Schlenk technique;	95%

: 1073-06-9
3-fluorobromobenzene

: 824-54-4
2-bromo-4-methylbenzaldehyde

: (2-bromo-4-methylphenyl)(3-fluorophenyl)methanol

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Schlenk technique; Stage #2: 2-bromo-4-methylbenzaldehyde In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere; Schlenk technique;	95%

: 1073-06-9
3-fluorobromobenzene

: 52252-61-6
phenyl[(2-phenylsulfanyl)phenyl]methanone

: C25H19FOS

Conditions

Conditions	Yield
Stage #1: 3-fluorobromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: phenyl[(2-phenylsulfanyl)phenyl]methanone In tetrahydrofuran; hexane at -78℃; Inert atmosphere;	95%

: 1073-06-9
3-fluorobromobenzene

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 1357266-25-1
2-(3-bromo-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
Stage #1: 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In tetrahydrofuran at 20℃; Glovebox; Inert atmosphere; Stage #2: With 2,2'-methylenebis( N,N)-dimethylpyridin-4-amine In tetrahydrofuran at 20℃; for 0.25h; Glovebox; Inert atmosphere; Stage #3: 3-fluorobromobenzene In tetrahydrofuran at 20℃; for 5h; Glovebox; Inert atmosphere; regioselective reaction;	95%

Yield

Stage #1: 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In tetrahydrofuran at 20℃; Glovebox; Inert atmosphere;
Stage #2: With 2,2'-methylenebis( N,N)-dimethylpyridin-4-amine In tetrahydrofuran at 20℃; for 0.25h; Glovebox; Inert atmosphere;
Stage #3: 3-fluorobromobenzene In tetrahydrofuran at 20℃; for 5h; Glovebox; Inert atmosphere; regioselective reaction;

95%

: 4630-82-4
methyl cyclohexylcarboxylate

: 1073-06-9
3-fluorobromobenzene

: methyl α-(3-fluorophenyl)cyclohexanecarboxylate

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 24h;	94%

: 1073-06-9
3-fluorobromobenzene

: 536-74-3
phenylacetylene

: 29778-28-7
1-fluoro-3-(2-phenylethynyl)benzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium acetate In dimethyl sulfoxide at 110℃; for 35h; Sonogashira Cross-Coupling; Inert atmosphere;	94%
With potassium phosphate; C30H37Br2N3Pd(2-) In dimethyl sulfoxide at 100℃; for 1h; Sonogashira Cross-Coupling;	84%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; tri tert-butylphosphoniumtetrafluoroborate In 1,4-dioxane at 20℃; Schlenk technique; Inert atmosphere;	83%
With C34H40Br2N3Pd; potassium carbonate In dimethyl sulfoxide at 100℃; for 1h; Sonogashira coupling;	59%
With Sonogashira catalyst CMX-1 In HN(iPr)2 at 80℃; Sonogashira coupling;

: 58-08-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 1073-06-9
3-fluorobromobenzene

: 1161823-22-8
1,3,7-trimethyl-8-(m-fluorophenyl)-xanthine

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction;	94%

3-Bromofluorobenzene Chemical Properties

IUPAC Name: 1-bromo-3-fluorobenzene
Empirical Formula: C₆H₄BrF
Molecular Weight: 174.9984g/mol
EINECS: 214-023-0
Structure of Benzene,1-bromo-3-fluoro- (CAS NO.1073-06-9):

Index of Refraction: 1.53
Molar Refractivity: 33.93 cm³
Molar Volume: 109.8 cm³
Polarizability: 13.45×10^-24cm³
Surface Tension: 33.8 dyne/cm
Density: 1.593 g/cm³
Flash Point: 38.9 °C
Enthalpy of Vaporization: 37.09 kJ/mol
Melting Point: -8°C
Boiling Point: 150 °C at 760 mmHg
Vapour Pressure: 4.99 mmHg at 25°C
storage temp: Flammables area
Water Solubility: insoluble
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Benzene series;Fluorobenzene;Bromine Compounds;Fluorine Compounds;Fluorobenzene Series;Aryl;C6;Halogenated Hydrocarbons
Canonical SMILES: C1=CC(=CC(=C1)Br)F
InChI: InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: QDFKKJYEIFBEFC-UHFFFAOYSA-N

3-Bromofluorobenzene Uses

Intermediates of Liquid Crystals.

3-Bromofluorobenzene Toxicity Data With Reference

1.		skn-rbt 500 mg/24H MOD		28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32.
2.		eye-rbt 20 mg/24H MOD		28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32.

3-Bromofluorobenzene Consensus Reports

Reported in EPA TSCA Inventory.

3-Bromofluorobenzene Safety Profile

A skin and eye irritant. When heated to decomposition it emits very toxic fumes of F⁻ and Br⁻.
The Hazard Codes of Benzene,1-bromo-3-fluoro- (1073-06-9): Harmful Xn,Xi, F
Hazard Note: Flammable/Irritant
HazardClass: 3
The Risk Statements information of Benzene,1-bromo-3-fluoro- (1073-06-9):
10: Flammable
22: Harmful if swallowed
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
36/38: Irritating to eyes and skin
The Safety Statements information of Benzene,1-bromo-3-fluoro- (1073-06-9):
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: DA1225000
PackingGroup: III
HS Code: 29036990

3-Bromofluorobenzene Specification

Benzene,1-bromo-3-fluoro- , its cas register number is 1073-06-9. It also can be called 1-Bromo-3-fluorobenzene ; 1-Fluoro-3-bromobenzene ; 3-Bromfluorbenzen ; 3-Bromofluorobenzene ; m-Bromofluorobenzene ; m-Fluorobromobenzene ;
m-Fluorophenyl bromide . Benzene,1-bromo-3-fluoro- (CAS NO.1073-06-9) is a clear colourless tolight yellow liquid.

Product Name

3-Bromofluorobenzene

Synthetic route

3-Bromofluorobenzene Chemical Properties

3-Bromofluorobenzene Uses

3-Bromofluorobenzene Toxicity Data With Reference

3-Bromofluorobenzene Consensus Reports

3-Bromofluorobenzene Safety Profile

3-Bromofluorobenzene Specification

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