3-Bromobiphenyl supplier | CasNO.2113-57-7

Name
3-Bromobiphenyl
EINECS 218-304-9
CAS No. 2113-57-7
Article Data89
CAS DataBase
Density 1.363 g/cm³
Solubility insoluble in water
Melting Point 9oC
Formula C₁₂H₉Br
Boiling Point 300 °C at 760 mmHg
Molecular Weight 233.107
Flash Point 135.6 °C
Transport Information
Appearance Colorless to pale yellow liquid
Safety 37/39-26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Biphenyl,3-bromo- (6CI,7CI,8CI);1-Bromo-3-phenylbenzene;3-Biphenyl bromide;3-Bromo-1,1'-biphenyl;3-Xenyl bromide;NSC 407775;PBB 2;[1,1'-Biphenyl]-3-yl bromide;m-Bromobiphenyl;
PSA 0.00000
LogP 4.11610

Synthetic route

: 591-18-4
1-Bromo-3-iodobenzene

: 98-80-6
phenylboronic acid

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate; triphenylphosphine In water; toluene at 100℃; for 24h;	98%
With barium dihydroxide; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water for 6h; Suzuki coupling; Heating;	92%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; water for 8h; Inert atmosphere; Reflux;	80%

: 108-36-1
1,3-dibromobenzene

: 98-80-6
phenylboronic acid

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With C27H23ClNO3PPd; potassium carbonate In ethanol; water at 50℃; for 7h; Temperature; Suzuki-Miyaura Coupling; Schlenk technique;	94%
With palladium diacetate In ethanol at 20℃; for 0.25h; Suzuki-Miyaura Coupling; chemoselective reaction;	86%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; toluene at 90℃; for 3h;	70%

: 89598-96-9
(3-bromophenyl)boronic acid

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
Stage #1: benzene With potassium permanganate; acetic acid Microwave irradiation; Stage #2: (3-bromophenyl)boronic acid for 0.5h; Microwave irradiation;	91%
With potassium permanganate; acetic acid Heating;	90%
With manganese triacetate for 0.5h; Heating;	89%
With iron(III) trifluoromethanesulfonate; di-tert-butyl peroxide; 4,7-bis[4-(trifluoromethyl)phenyl]-1,10-phenanthroline at 80℃; for 24h;	76%
With NH-pyrazole; potassium phosphate; iron(III) sulphate heptahydrate; 1,4,7,10-tetraazacyclododecan at 80℃; for 48h;	55%

: 27246-81-7
3-bromophenylhydrazine hydrochloride

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With potassium permanganate; acetic acid Heating;	90%
With manganese triacetate Heating;	73%

: 66107-31-1
3-bromophenyl trifluoromethanesulfonate

: 38111-44-3
phenylzinc(II) bromide

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
bis(diphenylphosphino)propanepalladium(II) dichloride In tetrahydrofuran at 60℃; for 11h; Negishi cross-coupling reaction;	90%

: 3-bromobenzene-1-diazonium tetrafluoroborate

: 8-phenylhexahydro-1,3,2-oxazaborolo[2,3-b]-1,3,2-oxazaborol-4-ium-8-uide

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With 1% Pd/C In methanol at 50℃; for 0.5h; Suzuki-Miyaura reaction; Inert atmosphere;	90%

: 1829-88-5
bis-(3-bromo-benzoyl)-peroxide

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
at 100℃; for 12h; Sealed tube;	89%
With meta-dinitrobenzene

: 108-86-1
bromobenzene

: 591-18-4
1-Bromo-3-iodobenzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
Stage #1: bromobenzene; 1-Bromo-3-iodobenzene With magnesium In tetrahydrofuran for 1h; Inert atmosphere; Reflux; Green chemistry; Stage #2: In tetrahydrofuran at 50 - 85℃; for 8h; Green chemistry;	84.69%

: 585-76-2
m-bromobenzoic acid

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With diethyl bromomethylmalonate; [4,4′-di-tert-butyl-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C}iridium(III) hexafluorophosphate; caesium carbonate at 80℃; for 22h; Irradiation;	82%
With dipotassium peroxodisulfate; silver nitrate In acetonitrile at 120℃; for 24h; Glovebox; Schlenk technique; Sealed tube; Inert atmosphere;	55%

: 10269-01-9
3-bromobenzylamine

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; silver nitrate In acetonitrile at 120℃; for 10h; Inert atmosphere; Sealed tube; Green chemistry;	82%

: 591-18-4
1-Bromo-3-iodobenzene

: 108-90-7
chlorobenzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
Stage #1: 1-Bromo-3-iodobenzene; chlorobenzene With magnesium In tetrahydrofuran for 1h; Inert atmosphere; Reflux; Green chemistry; Stage #2: In tetrahydrofuran; water; toluene at 50 - 85℃; for 8h; Inert atmosphere; Reflux; Green chemistry;	81.37%

: 591-50-4
iodobenzene

: 591-18-4
1-Bromo-3-iodobenzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
Stage #1: iodobenzene; 1-Bromo-3-iodobenzene With magnesium In tetrahydrofuran for 1h; Inert atmosphere; Reflux; Green chemistry; Stage #2: In tetrahydrofuran at 50 - 85℃; for 8h; Green chemistry;	80.61%

: 591-17-3
meta-bromotoluene

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; silver nitrate In acetonitrile at 120℃; for 20h; Sealed tube; Schlenk technique; Inert atmosphere;	80%

: 4406-77-3
2-Phenyl-1,3,2-dioxaborinane

: 591-18-4
1-Bromo-3-iodobenzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With potassium phosphate In 1,4-dioxane at 115℃; for 30h; Suzuki-Miyaura Coupling; Inert atmosphere;	77%

: 108-36-1
1,3-dibromobenzene

: C19H16NS(1+)*F6P(1-)

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
Stage #1: 1,3-dibromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: C19H16NS(1+)*F6P(1-) In tetrahydrofuran; hexane at -78 - 23℃; for 1.5h; Inert atmosphere;	71%

: 591-18-4
1-Bromo-3-iodobenzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
	70%

: 108-36-1
1,3-dibromobenzene

: 98-80-6
phenylboronic acid

A: 92-06-8
1,3-diphenylbenzene

B: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With disodium[(N,N’-bis(2-hydroxy-5-sulfonatobenzyl)-1,2-diphenyl-1,2-diaminoethano)palladate(II)]; caesium carbonate In water at 80℃; for 1h; Suzuki-Miyaura Coupling;	A 68% B 24%
With potassium phosphate; {1,3-di(NHP(piperidinyl)2)C6H3}PdCl In toluene at 100℃; for 0.0833333h; Suzuki reaction;	A 76 % Chromat. B 24 % Chromat.
With potassium carbonate; [{P(NC4H8NMe)3}2PdCl2] In methanol at 20℃; for 2h; Suzuki-Miyaura coupling reaction;

...Expand

: 591-18-4
1-Bromo-3-iodobenzene

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With 1,10-Phenanthroline; potassium 2-methylbutan-2-olate at 80℃; for 24h; Inert atmosphere;	65%

: 66107-31-1
3-bromophenyl trifluoromethanesulfonate

: phenylmagnesium bromide

A: 92-06-8
1,3-diphenylbenzene

B: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With lithium bromide; bis(diphenylphosphino)propanepalladium(II) dichloride In diethyl ether at 0℃; for 2h; Kumada cross-coupling reaction;	A 20% B 60%

...Expand

: 15852-73-0
(3-Bromophenyl)methanol

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; 1,2-Dinitrobenzene In decane at 150℃; for 12h; Inert atmosphere; Sealed tube;	59%

: 108-86-1
bromobenzene

: 108-95-2
phenol

A: 2052-07-5
2-Bromobiphenyl

B: 92-66-0
4-bromo-1,1'-biphenyl

C: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine at 289.9℃; for 0.0272222h; Product distribution;	A 22.7% B 18.4% C 58.9%

...Expand

: 2039-86-3
3-bromostyrene

: 71-43-2
benzene

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; 1,2-Dinitrobenzene In decane at 150℃; for 12h; Inert atmosphere; Sealed tube;	56%

: 591-18-4
1-Bromo-3-iodobenzene

: 71-43-2
benzene

A: 92-06-8
1,3-diphenylbenzene

B: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With 1-(2-hydroxyethyl)piperazine; potassium tert-butylate at 100℃; for 24h; Sealed tube; Inert atmosphere;	A 50% B 25%

...Expand

: 3-bromobenzene-1-diazonium tetrafluoroborate

: 960-16-7
tributylphenylstannane

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride In acetonitrile at 20℃; for 16h; Inert atmosphere;	44%

: 19920-85-5
1-(3-bromophenyl)cyclohexanol

: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With copper; Selectfluor In acetonitrile at 80℃; for 24h; chemoselective reaction;	41%

: 108-36-1
1,3-dibromobenzene

: 71-43-2
benzene

A: 92-06-8
1,3-diphenylbenzene

B: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
With potassium tert-butylate; vasicine at 20 - 110℃; for 72h; Schlenk technique; Inert atmosphere;	A 24% B 19%

...Expand

: 108-86-1
bromobenzene

: 17420-03-0
N-sulphinylphenylhydrazine

A: 2052-07-5
2-Bromobiphenyl

B: 92-66-0
4-bromo-1,1'-biphenyl

C: 2113-57-7
3-bromobiphenyl

D: 882-33-7
diphenyldisulfane

E S, SO2: S, SO2

Conditions

Conditions	Yield
at 135℃; for 72h; Further byproducts given;	A 20.9% B 6.9% C 12.7% D 1.1% E n/a
at 135℃; for 72h; Further byproducts given;	A 19.5% B 8.1% C 12.9% D 1.1% E n/a

...Expand

: 108-86-1
bromobenzene

: 17420-03-0
N-sulphinylphenylhydrazine

A: 1212-08-4
S-Phenyl benzenethiosulfonate

B: 2052-07-5
2-Bromobiphenyl

C: 92-66-0
4-bromo-1,1'-biphenyl

D: 2113-57-7
3-bromobiphenyl

E S, SO2: S, SO2

Conditions

Conditions	Yield
at 135℃; for 72h; Further byproducts given;	A 0.2% B 20.9% C 6.9% D 12.7% E n/a

...Expand

: 108-86-1
bromobenzene

: 17420-03-0
N-sulphinylphenylhydrazine

A: 2052-07-5
2-Bromobiphenyl

B: 92-66-0
4-bromo-1,1'-biphenyl

C: 139-66-2
diphenyl sulfide

D: 2113-57-7
3-bromobiphenyl

E S, SO2: S, SO2

Conditions

Conditions	Yield
at 135℃; for 72h; Further byproducts given;	A 20.9% B 6.9% C 0.8% D 12.7% E n/a

...Expand

: 110-86-1
pyridine

: 108-86-1
bromobenzene

: 94-36-0
dibenzoyl peroxide

A: 1008-89-5
2-phenylpyridine

B: 2052-07-5
2-Bromobiphenyl

C: 92-66-0
4-bromo-1,1'-biphenyl

D: 2113-57-7
3-bromobiphenyl

Conditions

Conditions	Yield
at 70℃;

...Expand

: 50448-95-8
2-ethylhexyl 3-sulfanylpropanoate

: 2113-57-7
3-bromobiphenyl

: 2-ethylhexyl 3-([1,1'-biphenyl]-3-ylthio)propanoate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 110℃; for 18h; Inert atmosphere;	100%

: 206357-82-6
(3-bromophenyl)(pyridin-2-yl)methanone

: 2113-57-7
3-bromobiphenyl

: [1,1‘-biphenyl]-2-yl(3-bromophenyl)(pyridin-2-yl)methanol

Conditions

Conditions	Yield
Stage #1: 3-bromobiphenyl With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.666667h; Stage #2: (3-bromophenyl)(pyridin-2-yl)methanone In tetrahydrofuran; hexane at -78 - 20℃; for 16h;	99%

: 5323-87-5
3-Ethoxycyclohex-2-en-1-one

: 2113-57-7
3-bromobiphenyl

: 4''-ethoxy-5'',6''-dihydro-2''H-[1,1':3',1'':1'',1''':3''',1''''-quinquephenyl]-2''-one

Conditions

Conditions	Yield
With tris(1-adamantyl)phosphine; palladium diacetate; lithium hexamethyldisilazane In toluene at 70℃; for 0.55h; Inert atmosphere;	99%

: 2113-57-7
3-bromobiphenyl

: 13331-27-6
m-nitrobenzene boronic acid

: 78626-53-6
1‐(3‐nitrophenyl)‐3‐phenylbenzene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium hydrogencarbonate In 1,2-dimethoxyethane; water for 16h; Suzuki Coupling; Inert atmosphere; Reflux;	98%

: 6223-78-5
2,5-dichloro-2,5-dimethyl hexane

: 2113-57-7
3-bromobiphenyl

: 288259-76-7
6-(3-bromophenyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; Condensation;	97%

: 2113-57-7
3-bromobiphenyl

: 10365-98-7
3-methoxyphenylboronic acid

: 156941-81-0
3-methoxy-[1,1';3',1'']terphenyl

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; toluene for 3h; Suzuki coupling; Heating;	97%

: 2113-57-7
3-bromobiphenyl

: 100-53-8
phenylmethanethiol

: 94306-39-5
[1,1'-biphenyl]-3-yl(benzyl)sulfane

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; Inert atmosphere; Sealed tube;	97%
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; Inert atmosphere; Sealed tube;	97%

: 2113-57-7
3-bromobiphenyl

: 1346669-48-4
9-(4-biphenylyl)-3,3'-bicarbazole

: 9-([1,1'-biphenyl]-3-yl)-9’-([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole

Conditions

Conditions	Yield
Stage #1: 3-bromobiphenyl; 9-(4-biphenylyl)-3,3'-bicarbazole With potassium tert-butylate In toluene for 0.5h; Inert atmosphere; Stage #2: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; XPhos In toluene for 10h; Reflux;	97%

: 2113-57-7
3-bromobiphenyl

: 62-53-3
aniline

: 198275-79-5
N-phenyl-[1,1′-biphenyl]-3-amine

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene for 2h; Inert atmosphere; Reflux;	95%
With tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 100℃; for 24h;	85%

: 2113-57-7
3-bromobiphenyl

: 55-21-0
benzamide

: N-biphenyl-3-yl-benzamide

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine In toluene for 120h; Reflux;	95%

: 75-89-8
2,2,2-trifluoroethanol

: 2113-57-7
3-bromobiphenyl

: 3-(2,2,2-trifluoroethoxy)-1,1'-biphenyl

Conditions

Conditions	Yield
With C43H59NO2PPd(1+)*CH3O3S(1-); caesium carbonate In toluene at 80℃; Schlenk technique; Inert atmosphere;	95%

: 2113-57-7
3-bromobiphenyl

: 2-(4-aminophenyl)-10H-chromeno[3,2-b]pyridin-10-one

: 2(4-([1,1'-biphenyl]-3-ylamino)phenyl)-10H-chromeno[3,2-b]pyridin-10-one

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene at 110℃; for 12h;	95%

: (R)-2,2'-(2,2'-bis(methoxymethoxy)-1,1'-binaphthyl-3,3'-diyl)bis(4,4',5,5'-tetramethyl-1,3,2-dioxaborolane)

: 2113-57-7
3-bromobiphenyl

: (R)-3,3'-di([1,1'-biphenyl]-3-yl)-[1,1'-binaphthalene]-2,2'-diol

Conditions

Conditions	Yield
Stage #1: (R)-2,2'-(2,2'-bis(methoxymethoxy)-1,1'-binaphthyl-3,3'-diyl)bis(4,4',5,5'-tetramethyl-1,3,2-dioxaborolane); 3-bromobiphenyl With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 120℃; Alkaline conditions; Stage #2: With hydrogenchloride In 1,4-dioxane; methanol; dichloromethane; water at 80℃;	95%

: 2113-57-7
3-bromobiphenyl

: 536-74-3
phenylacetylene

: 263916-95-6
1-(m-biphenylyl)-2-phenylethyne

Conditions

Conditions	Yield
With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) at 80℃; for 5h; Hagihara coupling;	94%

: 2113-57-7
3-bromobiphenyl

: 1232692-92-0
2-(diisopropylsilyl)pyridine

: 1232692-97-5
C23H27NSi

Conditions

Conditions	Yield
Stage #1: 3-bromobiphenyl With n-butyllithium In tetrahydrofuran; hexanes at -78℃; Inert atmosphere; Stage #2: 2-(diisopropylsilyl)pyridine In tetrahydrofuran; hexanes at -78 - -30℃; Inert atmosphere;	93%
Stage #1: 3-bromobiphenyl With n-butyllithium In tetrahydrofuran; hexanes at -78℃; Inert atmosphere; Stage #2: 2-(diisopropylsilyl)pyridine In tetrahydrofuran; hexanes at -78 - 30℃; Inert atmosphere;	93%

: 2113-57-7
3-bromobiphenyl

: C12H6(2)H3Br

Conditions

Conditions	Yield
With water-d2; potassium carbonate; silver carbonate; cyclohexyldiphenylphosphine In toluene at 120℃; for 12h;	93%

: 2113-57-7
3-bromobiphenyl

: 20442-79-9
3-iodo-1,1'-biphenyl

Conditions

Conditions	Yield
With copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane; sodium iodide In 1,4-dioxane Reflux; Inert atmosphere;	92%
With iodine; sodium iodide In acetonitrile at 20℃; for 36h; Inert atmosphere; UV-irradiation; Green chemistry;	87%

: 2113-57-7
3-bromobiphenyl

: 16523-54-9
chlorodicyclohexylphosphane

: 640735-28-0
[1,1'-biphenyl]-3-yldicyclohexylphosphane

Conditions

Conditions	Yield
Stage #1: 3-bromobiphenyl With n-butyllithium In diethyl ether; hexane at -20℃; for 2h; Inert atmosphere; Stage #2: chlorodicyclohexylphosphane In diethyl ether; hexane at 20℃; for 6h; Cooling;	92%

: 2113-57-7
3-bromobiphenyl

: 123088-32-4
4-tert-butyl-dimethylsilyloxyphenylboronic acid anhydride

: 139265-73-9
[1,1’:3’,1’’-terphenyl]-4-ol

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 95℃; Suzuki reaction;	91%

: 2113-57-7
3-bromobiphenyl

: 92-52-4
biphenyl

Conditions

Conditions	Yield
With methanol; magnesium at 20℃;	91%
With 2-H-1,3-di-tert-butyl-1,3,2-diazaphosphorinane; 2,2'-azobis(isobutyronitrile) In toluene at 90℃; for 5h;	83%
With sodium formate In water; isopropyl alcohol at 50℃; for 0.00222222h; microflow reactor;	99 %Chromat.

: 2113-57-7
3-bromobiphenyl

: 99685-96-8, 161105-99-3, 161106-00-9, 111138-12-6, 133318-63-5, 134053-11-5, 134931-35-4, 134931-36-5, 139703-76-7, 145633-27-8, 175414-73-0, 175414-74-1, 175414-75-2, 175519-12-7, 175519-13-8, 175519-14-9, 175519-15-0, 136376-46-0, 144906-37-6, 144906-38-7, 151767-00-9, 152882-97-8, 152882-98-9, 152882-99-0, 153062-34-1, 154171-74-1, 154171-75-2, 154333-99-0, 154334-00-6, 154397-63-4, 154460-59-0, 199456-56-9, 108739-25-9, 120329-57-9, 120329-58-0
fullerene-C60

: 6,9,12,15,18-pentakis(3'-biphenylyl)-1-hydro[60]fullerene

Conditions

Conditions	Yield
Stage #1: 3-bromobiphenyl With iodine; magnesium In tetrahydrofuran at 20℃; for 2.5h; Inert atmosphere; Reflux; Stage #2: With copper(I) bromide dimethylsulfide complex In tetrahydrofuran at -78℃; for 0.333333h; Inert atmosphere; Stage #3: fullerene-C60 In tetrahydrofuran; 1,2-dichloro-benzene at -78 - 20℃; Inert atmosphere;	91%

: 56366-31-5
3-(2-nitrophenyl)-1H-indole

: 2113-57-7
3-bromobiphenyl

: 1373266-33-1
C26H18N2O2

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine In 1,4-dioxane at 120℃; for 18h;	90%

: 108714-73-4
9,9-dimethyl-9H-fluoren-2-ylamine

: 2113-57-7
3-bromobiphenyl

: N-((1,1'-biphenyl)-3-yl)-9,9-dimethyl-9H-fluorene-2-amine

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 108℃; for 4h; Buchwald-Hartwig Coupling; Inert atmosphere;	90%
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 108℃; for 4h; Inert atmosphere;	74.94%

3-Bromobiphenyl Consensus Reports

Reported in EPA TSCA Inventory.

3-Bromobiphenyl Specification

The 3-Bromobiphenyl, with the CAS registry number 2113-57-7 and EINECS registry number 218-304-9, is also called 1,1'-Biphenyl, 3-bromo-. It is a kind of colorless to pale yellow liquid, and belongs to the following product categories: Biphenyl derivatives; Biphenyl & Diphenyl ether; Aryl; C9 to C12; Halogenated Hydrocarbons. And the molecular formula of this chemical is C₁₂H₉Br.

The physical properties of 3-Bromobiphenyl are as following: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 2026.88; (6)ACD/BCF (pH 7.4): 2026.88; (7)ACD/KOC (pH 5.5): 8102.6; (8)ACD/KOC (pH 7.4): 8102.6; (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: 1.6; (14)Molar Refractivity: 58.53 cm³; (15)Molar Volume: 170.9 cm³; (16)Polarizability: 23.2×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 51.84 kJ/mol; (21)Boiling Point: 300 °C at 760 mmHg; (22)Vapour Pressure: 0.00205 mmHg at 25°C.

Uses of 3-Bromobiphenyl: It can react with formic acid ethyl ester to produce 3,3'-diphenylbenzhydrol. This reaction will need reagent Mg, and the solvent diethyl ether. The reaction time is 18 hours with heating, and the yield is about 41%.

3-Bromobiphenyl can react with formic acid ethyl ester to produce 3,3'-diphenylbenzhydrol

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(c1ccccc1)ccc2
(2)InChI: InChI=1/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
(3)InChIKey: USYQKCQEVBFJRP-UHFFFAOYAD

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 217, 1954.

Product Name

3-Bromobiphenyl

Synthetic route

3-Bromobiphenyl Consensus Reports

3-Bromobiphenyl Specification

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