1-Bromo-3,5-difluorobenzene supplier

Name
1-Bromo-3,5-difluorobenzene
EINECS 461-96-1
CAS No. 461-96-1
Article Data13
CAS DataBase
Density 1.692 g/cm³
Solubility 0.238 g/L (20 °C) in water
Melting Point -27 °C
Formula C₆H₃BrF₂
Boiling Point 140 °C at 760 mmHg
Molecular Weight 192.991
Flash Point 44.4 °C
Transport Information UN 1993 3/PG 3
Appearance Clear colourless to light yellow liquid
Safety 24-36/37-60-61-36-26-16
Risk Codes 10-22-38-43-48/22-50/53-36/37/38
Molecular Structure
Hazard Symbols Xn, F, Xi, N
Synonyms 1-bromo-3,5-difluoro-benzene;3,5-Difluorobromobenzene;3,5-Difluoro-1-Bromobenzene;1-Bromo-3,5-Difluorobromobenzene;Benzene, 1-bromo-3,5-difluoro-;1,3-Difluoro-5-bromobenzene;3,5-Difluoro-Bromobenzene;
PSA 0.00000
LogP 2.72730

Synthetic route

: 184910-37-0
(4-bromo-2,6-difluorophenyl)triethylsilane

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
With potassium fluoride In tetrahydrofuran; water for 2h; Heating;	93%

: 6303-21-5
hypophosphorous acid

: 101471-20-9
2-bromo-4,6-difluoroaniline hydrobromide

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
With sodium nitrite In hydrogenchloride	75%

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

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Stage #1: 1,3-dibromo-5-fluorobenzene With TurboGrignard In tetrahydrofuran; 1,4-dioxane at 0 - 25℃; Inert atmosphere; Stage #2: With N-fluorobis(benzenesulfon)imide In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans) at -78 - 20℃; Inert atmosphere;	66%
Stage #1: 1,3-dibromo-5-fluorobenzene With TurboGrignard In tetrahydrofuran at 25℃; Inert atmosphere; Stage #2: With N-fluorobis(benzenesulfon)imide In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans) at -78 - 25℃; Inert atmosphere;	66 %Chromat.

: 2-Brom-4,6-difluor-benzoldiazonium-chlorid

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
With hypophosphoric acid

: 372-18-9
1,3-Difluorobenzene

A: 461-96-1
3,5-difluorobromobenzene

B: 128259-71-2
1,4 - dibromo-2,6-difluorobenzene

: 128259-73-4
1,3-Difluoro-1,2,3,4,5,6-hexabromocyclohexane

D: 128259-72-3
2,4,5-Tribromo-1,3-difluorobenzene

Conditions

Conditions	Yield
With bromine In trichlorofluoromethane Irradiation; Further byproducts given. Yields of byproduct given;	A n/a B n/a C 2.01 g D n/a

...Expand

: 101471-20-9
2-bromo-4,6-difluoroaniline hydrobromide

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
With sodium hypophosphite; hydrogen bromide; sodium nitrite Yield given. Multistep reaction;
With hydrogenchloride; hypophosphorous acid; sodium nitrite 1.) water, 5 deg C, 2.) water, 0 deg C, 3 h; Yield given. Multistep reaction;

: 372-39-4
3,5-difluoroaniline

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Substitution; Sandmeyer reaction;

: 372-18-9
1,3-Difluorobenzene

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 89 percent / butyllithium / hexane; tetrahydrofuran / -75 °C 2: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h 3: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 4: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 5: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 6: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme

Yield

Multi-step reaction with 6 steps
1: 89 percent / butyllithium / hexane; tetrahydrofuran / -75 °C
2: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h
3: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C
4: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
5: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
6: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating
View Scheme

: 651027-02-0
1-triethylsilyl-2,6-difluorobenzene

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h 2: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 4: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme

Yield

Multi-step reaction with 5 steps
1: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h
2: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C
3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
4: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
5: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating
View Scheme

: 651027-03-1
(3-bromo-2,6-difluorophenyl)triethylsilane

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 3: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme

: 651027-05-3
(3,4-dibromo-2,6-difluorophenyl)triethylsilane

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 2: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme

: 651027-04-2
(3,5-dibromo-2,6-difluorophenyl)triethylsilane

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 2: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 3: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme

: 367-25-9
2,4-difluorophenylamine

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 91 percent / Br2 / acetic acid / 0.25 h / Ambient temperature 2: 1.) 12 N HCl, NaNO2, 2.) 50 percent H3PO2 / 1.) water, 5 deg C, 2.) water, 0 deg C, 3 h View Scheme
Multi-step reaction with 2 steps 1: 88 percent / Br2, acetic acid 2: 1.) NaNO2, HBr, 2.) NaH2PO2*xH2O View Scheme

: 444-14-4
2-bromo-4,6-difluoroaniline

: 1317-39-1, 146060-06-2
copper(I) oxide

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
With ammonium hydroxide

: 2-bromo-4,6-difluoroaniline hydrochloride

: 461-96-1
3,5-difluorobromobenzene

Conditions

Conditions	Yield
Stage #1: 2-bromo-4,6-difluoroaniline hydrochloride With sodium nitrite In water at 0 - 5℃; for 1h; Green chemistry; Stage #2: With sodium hypophosphite In water for 2h; Green chemistry;	190.9 g

: 75-77-4
chloro-trimethyl-silane

: 461-96-1
3,5-difluorobromobenzene

: 184910-20-1
(4-bromo-2,6-difluoro-phenyl)-trimethyl-silane

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -100 - -90℃; for 2h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -85℃;	100%
Stage #1: 3,5-difluorobromobenzene With n-butyllithium; diisopropylamine In tetrahydrofuran at -100 - -90℃; for 2.33333h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -100 - 20℃;	100%
With n-butyllithium In tetrahydrofuran; hexane at -75℃;	93%
Stage #1: 3,5-difluorobromobenzene With n-butyllithium; diisopropylamine In tetrahydrofuran at -100℃; for 2h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -100 - 20℃; for 16h;

: 461-96-1
3,5-difluorobromobenzene

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 909418-94-6
tert-butyl 4-(3,5-difluorophenyl)piperazine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene; 1-t-Butoxycarbonylpiperazine With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In xylene at 50℃; Stage #2: With macroporous polymer-supported isocyanate In xylene at 50℃; for 24h;	100%
With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In toluene for 15h; Inert atmosphere; Reflux;	100%
With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In toluene for 15.5h; Time; Inert atmosphere; Reflux;	100%
With Quinuclidine; nickel(II) bromide trihydrate In N,N-dimethyl acetamide at 20℃; for 3h; Sealed tube; Irradiation; Inert atmosphere;	62%

: 461-96-1
3,5-difluorobromobenzene

: 931-50-0
cyclohexylmagnesium bromide

: 1-cyclohexyl-3,5-difluorobenzene

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene 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;	100%

: 753-90-2
trifluoroethylamine

: 461-96-1
3,5-difluorobromobenzene

: 3,5-difluoro-N-(2,2,2-trifluoroethyl)aniline

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); 5-(di(adamantan-1-yl)phosphino)-1′,3′,5′-triphenyl-1′H-1,4′-bipyrazole; potassium phenolate In 1,4-dioxane at 100℃; for 6h; Sealed tube; Inert atmosphere;	100%

: 461-96-1
3,5-difluorobromobenzene

: 73183-34-3
bis(pinacol)diborane

: 2-(4-bromo-2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1-(4,4'-di-tert-butyl-[2,2'-bipyridin]-6-yl)-2-(dimethyl(phenyl)silyl)-2,3-dihydro-1H-benzo[d][1,3,2]diazaborole at 140℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube;	99%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; cyclopentyl methyl ether; 1,1'-di(pyridin-2-yl)-1,1',3,3'-tetrahydro-2,2'-bibenzo[d][1,3,2]diazaborole at 100℃; for 16h; Schlenk technique; Inert atmosphere;	87%
With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 24h; Inert atmosphere;

: sodium 2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐[1,1'‐biphenyl]‐3‐sulfonate

: 225931-80-6
bis[(trimethylsilyl)methyl](1,5-cyclooctadiene)palladium(II)

: 461-96-1
3,5-difluorobromobenzene

: C32H37BrF2O5PPdS(1-)*Na(1+)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h;	99%

...Expand

: 461-96-1
3,5-difluorobromobenzene

: ethyl 6-benzyl-2,6-diazaspiro[3.4]octane-8-carboxylate

: ethyl 7-benzyl-2-(3,5-difluorophenyl)-2,7-diazaspiro[3.4]octane-5-carboxylate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; ruphos In tert-butyl alcohol at 110℃; Buchwald-Hartwig Coupling; Inert atmosphere; Sealed tube;	99%

: 461-96-1
3,5-difluorobromobenzene

: 100-51-6
benzyl alcohol

: 130722-44-0
5-benzyloxy-3-fluorophenyl bromide

Conditions

Conditions	Yield
Stage #1: benzyl alcohol With sodium hydride In tetrahydrofuran for 1h; Stage #2: 3,5-difluorobromobenzene In tetrahydrofuran at 20℃; for 49h;	98%
Stage #1: benzyl alcohol With sodium hydride In tetrahydrofuran for 1h; Stage #2: 3,5-difluorobromobenzene In tetrahydrofuran at 20℃; for 49h;	98%
Stage #1: benzyl alcohol With sodium hydride In tetrahydrofuran; mineral oil for 1h; Stage #2: 3,5-difluorobromobenzene In tetrahydrofuran; mineral oil at 20 - 40℃;	82%

: 461-96-1
3,5-difluorobromobenzene

: 4-cyclobutenylbenzeneboronic acid

: 4'-cyclobutenyl-3,5-difluorobiphenyl

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; potassium carbonate In ethanol; water at 40 - 72℃; for 4h; Inert atmosphere;	98%

: 461-96-1
3,5-difluorobromobenzene

: 4-cyclopentenylbenzeneboronic acid

: 4'-cyclopentenyl-3,5-difluorobiphenyl

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; potassium carbonate In ethanol; water at 40 - 72℃; Inert atmosphere;	98%

: 461-96-1
3,5-difluorobromobenzene

: [4-(cycloprop-1-en-1-yl)phenyl]boronic acid

: 4'-cyclopropenyl-3,5-difluorobiphenyl

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; potassium carbonate In ethanol; water at 40 - 72℃; for 4h; Inert atmosphere;	98%

: 461-96-1
3,5-difluorobromobenzene

: 372-18-9
1,3-Difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate; butan-1-ol; palladium diacetate; triphenylphosphine at 100℃; for 1h;	97%
With N,N,N,N,-tetramethylethylenediamine; C41H40IrN6 In acetonitrile at 45℃; for 48h; Sealed tube; Glovebox; Inert atmosphere;	52%
With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; C39H45IrN4 In N,N-dimethyl-formamide at 45℃; for 24h; Reagent/catalyst; Irradiation; Glovebox;	97 %Spectr.

: 124-38-9
carbon dioxide

: 461-96-1
3,5-difluorobromobenzene

: 183065-68-1
4-bromo-2,6-difluorobenzoic acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -75℃; for 2h;	96%
Stage #1: 3,5-difluorobromobenzene With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 2h; Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78℃; under 150.012 Torr; for 0.5h;	86.8%
Stage #1: 3,5-difluorobromobenzene With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 1.75h; Stage #2: carbon dioxide at 20℃; for 16h;	84%

: 461-96-1
3,5-difluorobromobenzene

: 445491-09-8
[2-(3,5-difluorophenyl)ethynyl]trimethylsilane

Conditions

Conditions	Yield
	96%

: 461-96-1
3,5-difluorobromobenzene

: 19956-89-9
ethyl 2-(dimethyl(oxo)-λ6-sulfaneylidene)acetate

: C12H14F2O3S

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In acetonitrile at 80℃; for 15h; Inert atmosphere; Schlenk technique; Sealed tube;	96%

: 461-96-1
3,5-difluorobromobenzene

: 574755-29-6
2-(3-fluoro-4-trimethylsilylphenyl)-5,5-dimethyl[1,3,2]dioxaborinane

: 574755-48-9
3,3',5'-trifluoro-4-trimethylsilylbiphenyl

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane Suzuki coupling; Heating;	95%

: 461-96-1
3,5-difluorobromobenzene

: 4294-57-9
para-methylphenylmagnesium bromide

: 3,5-difluoro-4'-methyl-1,1'-biphenyl

Conditions

Conditions	Yield
With nickel(II) fluoride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 0 - 40℃; for 18.5h; Inert atmosphere;	95%

: 461-96-1
3,5-difluorobromobenzene

: 77123-58-1
2-[2-(trimethylsilyl)ethynyl]benzaldehyde

: 1638754-71-8
(3,5-difluorophenyl)(2-((trimethylsilyl)ethynyl)phenyl)methanol

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene With iodine; magnesium Stage #2: 2-[2-(trimethylsilyl)ethynyl]benzaldehyde In tetrahydrofuran at -78 - 20℃; for 1h;	95%

: 461-96-1
3,5-difluorobromobenzene

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 64248-63-1
3,5-difluorobenzonitrile

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene With copper(l) iodide; 1,10-Phenanthroline; potassium iodide In N,N-dimethyl-formamide at 110℃; for 6h; Stage #2: 2-hydroxy-2-methylpropanenitrile With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 110℃; for 60h;	94%

: 461-96-1
3,5-difluorobromobenzene

: 433939-27-6
3-bromo-5-fluorophenol

Conditions

Conditions	Yield
Stage #1: 3,5-difluorobromobenzene With 2-(methylsulfonyl)ethyl alcohol; potassium tert-butylate In dimethyl sulfoxide at 0 - 20℃; for 3h; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide pH=1; Stage #3: With sodium hydroxide In diethyl ether; water	94%
Stage #1: 3,5-difluorobromobenzene With potassium trimethylsilonate In diethylene glycol dimethyl ether at 120℃; for 5h; Inert atmosphere; Stage #2: With hydrogenchloride In diethylene glycol dimethyl ether; water at 20℃; Inert atmosphere;	92%
With potassium trimethylsilonate In diethylene glycol dimethyl ether at 120℃; for 5h; Inert atmosphere;	92%

: 461-96-1
3,5-difluorobromobenzene

: 372-39-4
3,5-difluoroaniline

Conditions

Conditions	Yield
With copper(I) oxide; 1-D-O-Methyl-chiro-inositol; ammonia; sodium hydroxide In water at 100℃; for 12h;	94%
With copper(I) oxide; ammonium hydroxide at 120℃; for 6h; Reagent/catalyst; Temperature; Autoclave; Green chemistry;	85%

: 461-96-1
3,5-difluorobromobenzene

: 190966-43-9
2-bromo-3-(4-(methylthio)phenyl)-2-cyclopenten-1-one

: 228717-97-3
2-(3',5'-difluorophenyl)-3-(4'-methylthiophenyl)cyclopent-2-en-1-one

Conditions

Conditions	Yield
Stage #1: With n-butyllithium In hexane at -78℃; for 0.5h; Metallation; Stage #2: With Triisopropyl borate In hexane Substitution; Suzuki coupling; Stage #3: 3,5-difluorobromobenzene; 2-bromo-3-(4-(methylthio)phenyl)-2-cyclopenten-1-one With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride In water; toluene Substitution; Suzuki coupling; Heating;	93%

: 109-99-9
tetrahydrofuran

: 461-96-1
3,5-difluorobromobenzene

: 1311230-64-4
2-(3,5-difluorophenyl)tetrahydrofuran

Conditions

Conditions	Yield
Stage #1: tetrahydrofuran; 3,5-difluorobromobenzene With iodine; magnesium at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: With iron(III) oxide In tetrahydrofuran at 0 - 20℃; for 5h; Inert atmosphere;	93%
Stage #1: 3,5-difluorobromobenzene With iodine; magnesium In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: tetrahydrofuran With iron(III) oxide at 0 - 20℃; for 5h; Inert atmosphere;	92.84%

: 461-96-1
3,5-difluorobromobenzene

: 86-74-8
9H-carbazole

: 750573-24-1
9,9’-(5-bromo-1,3-phenylene)bis(9H-carbazole)

Conditions

Conditions	Yield
Stage #1: 9H-carbazole With potassium tert-butylate at 120 - 140℃; Stage #2: 3,5-difluorobromobenzene for 2h;	93%
Stage #1: 9H-carbazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h; Stage #2: 3,5-difluorobromobenzene In N,N-dimethyl-formamide; mineral oil at 130℃; for 12h; Cooling with ice;	92%
With caesium carbonate In N,N-dimethyl-formamide at 170℃; for 15h;	91%

: 461-96-1
3,5-difluorobromobenzene

: 147081-29-6
(S)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

: (S)-4-(3,5-difluoro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 80℃; for 3.5h; Inert atmosphere; Reflux;	93%
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 110℃; for 2.5h; Inert atmosphere;

: 461-96-1
3,5-difluorobromobenzene

: 37500-95-1
3,6-di(tert-butyl)-9H-carbazole

: 9,9’-(5-bromo-1,3-phenylene)bis(3,6-di-tert-butyl-9H-carbazole)

Conditions

Conditions	Yield
Stage #1: 3,6-di(tert-butyl)-9H-carbazole With 1,3-dimethyl-2-imidazolidinone; potassium tert-butylate at 120℃; Stage #2: 3,5-difluorobromobenzene at 150℃; for 1h; Inert atmosphere;	93%
Stage #1: 3,6-di(tert-butyl)-9H-carbazole With sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: 3,5-difluorobromobenzene In N,N-dimethyl-formamide for 16h; Reflux;	80.4%
With sodium hydride In N,N-dimethyl-formamide Reflux;	79.1%
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 24h;
With caesium carbonate In N,N-dimethyl-formamide at 120℃; Inert atmosphere;	59.9 g

: 461-96-1
3,5-difluorobromobenzene

: 1066-54-2
trimethylsilylacetylene

: 445491-09-8
[2-(3,5-difluorophenyl)ethynyl]trimethylsilane

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In acetonitrile at 120℃; for 0.0833333h; Sonogashira Cross-Coupling; Microwave irradiation; Sealed tube; Inert atmosphere;	92%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); diethylamine In N,N-dimethyl-formamide at 120℃; for 0.25h; Inert atmosphere;	90%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In acetonitrile at 100℃; for 16h; Inert atmosphere; Sealed tube;	80%
With copper(l) iodide; diisopropylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride
With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium(0) Heating;

: (2RS,4SR)-4-[5-fluoro-3-(naphth-2-ylmethoxy)phenyl]-4-hydroxy-2-methyltetrahydropyran

: 1592-38-7
2-Naphthalenemethanol

: 461-96-1
3,5-difluorobromobenzene

: 5-fluoro-3-(naphth-2-ylmethoxy)bromobenzene

Conditions

Conditions	Yield
	92%

...Expand

: 461-96-1
3,5-difluorobromobenzene

: 108-95-2
phenol

: 41318-73-4
((5-bromo-1,3-phenylene)bis(oxy))dibenzene

Conditions

Conditions	Yield
With caesium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 18h; Inert atmosphere;	92%
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 170℃; for 10h; Inert atmosphere;	35.9 g
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 170℃; for 10h; Inert atmosphere;	35.9 g
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 150℃; for 48h; Inert atmosphere;	119 g
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 150℃; for 48h; Inert atmosphere;	119 g

1-Bromo-3,5-difluorobenzene Chemical Properties

IUPAC Name: 1-bromo-3,5-difluorobenzene
Empirical Formula: C₆H₃BrF₂
Molecular Weight: 192.9888g/mol
EINECS: 416-710-2
Structure of 1-Bromo-3,5-difluorobenzene (CAS NO.461-96-1):

Index of Refraction: 1.506
Molar Refractivity: 33.93 cm³
Molar Volume: 114 cm³
Polarizability: 13.45×10^-24cm³
Surface Tension: 32.3 dyne/cm
Density: 1.692 g/cm³
Flash Point: 44.4 °C
Enthalpy of Vaporization: 36.17 kJ/mol
Melting Point: -27 °C
Boiling Point: 140 °C at 760 mmHg
Vapour Pressure: 7.81 mmHg at 25°C
storage temp: Flammables area
Water Solubility: 0.238 g/L (20 ºC)
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Fluorobenzene;Miscellaneous;Aryl;C6;Halogenated Hydrocarbons
Canonical SMILES: C1=C(C=C(C=C1F)Br)F
InChI: InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: JHLKSIOJYMGSMB-UHFFFAOYSA-N

1-Bromo-3,5-difluorobenzene Uses

The usage of 1-Bromo-3,5-difluorobenzene: Intermediates of Liquid Crystals.

1-Bromo-3,5-difluorobenzene Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi , Dangerous N, F,
The Risk Statements information of 1-Bromo-3,5-difluorobenzene :
10: Flammable
22: Harmful if swallowed
38: Irritating to the skin
43: May cause sensitization by skin contact
36/37/38: Irritating to eyes, respiratory system and skin
48/22: Harmful: danger of serious damage to health by prolonged exposure if swallowed
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of 1-Bromo-3,5-difluorobenzene:
16: Keep away from sources of ignition - No smoking
24: Avoid contact with skin
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37: Wear suitable protective clothing and gloves
RIDADR: UN 1993 3/PG 3
WGK Germany:2
Hazard Note:Flammable

1-Bromo-3,5-difluorobenzene Specification

1-Bromo-3,5-difluorobenzene , its cas register number is 461-96-1. It also can be called Benzene, 1-bromo-3,5-difluoro ; 3,5-Difluorobromobenzene . 1-Bromo-3,5-difluorobenzene (CAS NO.461-96-1) is a clear colourless to light yellow liquid.

Product Name

1-Bromo-3,5-difluorobenzene

Synthetic route

1-Bromo-3,5-difluorobenzene Chemical Properties

1-Bromo-3,5-difluorobenzene Uses

1-Bromo-3,5-difluorobenzene Safety Profile

1-Bromo-3,5-difluorobenzene Specification

Related Products

Hot Products