Product Name

  • Name

    4-Chlorobiphenyl

  • EINECS 218-127-7
  • CAS No. 2051-62-9
  • Article Data614
  • CAS DataBase
  • Density 1.131 g/cm3
  • Solubility <0.1 g/100 mL at 22 °C in water
  • Melting Point 32 °C(lit.)
  • Formula C12H9Cl
  • Boiling Point 289 °C at 760 mmHg
  • Molecular Weight 188.656
  • Flash Point 127 °C
  • Transport Information UN 3432 9/PG 2
  • Appearance White solid
  • Safety 35-60-61-36-26
  • Risk Codes 33-50/53-36/37/38
  • Molecular Structure Molecular Structure of 2051-62-9 (4-Chlorobiphenyl)
  • Hazard Symbols DangerousN, IrritantXi
  • Synonyms Biphenyl,4-chloro- (6CI,7CI,8CI);1,1'-Biphenyl-4-yl chloride;1-Chloro-4-phenylbenzene;4-Biphenylyl chloride;4-Chloro-1,1'-biphenyl;4-Chlorodiphenyl;NSC 37066;PCB 3;p-Chlorobiphenyl;
  • PSA 0.00000
  • LogP 4.00700

Synthetic route

bromochlorobenzene
106-39-8

bromochlorobenzene

phenylboronic acid
98-80-6

phenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate In ethanol at 80℃; for 36h; Suzuki-Miyaura Coupling; Inert atmosphere;100%
With C28H38Cl2N2O6PdS2(2-)*2Na(1+); tetrabutylammomium bromide; potassium carbonate In water at 75℃; Suzuki coupling; Inert atmosphere;99%
With Br(1-)*C28H29BrN5O2Pd(1+); potassium carbonate In methanol; water at 100℃; for 3h; Suzuki-Miyaura coupling;99%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

phenylboronic acid
98-80-6

phenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate In ethanol at 80℃; for 36h; Suzuki-Miyaura Coupling; Inert atmosphere;100%
With potassium phosphate; tetrabutylammomium bromide In 1,4-dioxane; water at 120℃; for 1.5h; Suzuki Coupling; Inert atmosphere;100%
With copper; potassium carbonate In various solvent(s) at 110℃; for 12h; Suzuki-Miyaura cross-coupling;99%
iodobenzene
591-50-4

iodobenzene

4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; potassium carbonate; palladium diacetate In acetone at 110℃; for 2h; Suzuki-Miyaura cross-coupling reaction;100%
With potassium carbonate In ethanol at 80℃; for 12h; Reagent/catalyst; Suzuki-Miyaura Coupling;100%
With potassium carbonate; [PS-PEG-adppp-Pd(η3-C3H5)]Cl In water at 50℃; for 12h; Suzuki-Miyaura coupling;99%
bromobenzene
108-86-1

bromobenzene

4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate In ethanol; water at 20℃; for 2h; Suzuki coupling;99%
With C42H39ClN5OPd*F6P(1-); potassium hydroxide In 1,4-dioxane at 75℃; for 5h; Suzuki-Miyaura cross-coupling; Inert atmosphere;99%
Stage #1: bromobenzene In N,N-dimethyl-formamide at 90℃; for 0.833333h; Microwave irradiation;
Stage #2: 4-Chlorophenylboronic acid With potassium carbonate In N,N-dimethyl-formamide at 104℃; for 1h; Suzuki-Miyaura Coupling; Microwave irradiation;		99%
bromochlorobenzene
106-39-8

bromochlorobenzene

sodium tetraphenyl borate
143-66-8

sodium tetraphenyl borate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate In water at 50℃; for 0.333333h; Suzuki Coupling;99%
With sodium carbonate at 80℃; for 0.333333h; Green chemistry;98%
With potassium carbonate at 100℃; for 1h; Catalytic behavior;97%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

phenyl trimethylsiloxane
2996-92-1

phenyl trimethylsiloxane

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In water; toluene at 100℃; for 20h; Hiyama Coupling;99%
With tetrabutyl ammonium fluoride; palladium diacetate In 1,4-dioxane at 80℃; for 2h; Hiyama cross-coupling reaction;95%
With palladium(II) acetylacetonate; tetrabutyl ammonium fluoride; bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite In para-xylene at 80℃; for 12h; Hiyama coupling; Combinatorial reaction / High throughput screening (HTS);92 %Chromat.
With tetrabutyl ammonium fluoride In toluene at 45℃; for 24h; Catalytic behavior; Hiyama Coupling; Irradiation; Green chemistry;73 %Chromat.
bromochlorobenzene
106-39-8

bromochlorobenzene

C19H16NS(1+)*F6P(1-)

C19H16NS(1+)*F6P(1-)

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
Stage #1: bromochlorobenzene 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;		99%
bromochlorobenzene
106-39-8

bromochlorobenzene

tri(allyl)phenylsilane
2633-57-0

tri(allyl)phenylsilane

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
Stage #1: triallyl(phenyl)silane With tetrabutyl ammonium fluoride In water; dimethyl sulfoxide at 20℃; for 1h;
Stage #2: bromochlorobenzene With tricyclohexylphosphine; palladium dichloride In water; dimethyl sulfoxide at 80℃; for 12h;		98%
Stage #1: bromochlorobenzene; triallyl(phenyl)silane With tetrabutyl ammonium fluoride In water; dimethyl sulfoxide at 20℃; for 1h;
Stage #2: With tricyclohexylphosphine; palladium dichloride In water; dimethyl sulfoxide at 80℃; for 12h;		98%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

potassium phenyltrifluoborate

potassium phenyltrifluoborate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; isopropyl alcohol at 100℃; for 0.166667h; Suzuki coupling; microwave irradiation;98%
With choline chloride; palladium diacetate; sodium carbonate; glycerol at 60℃; for 5h; Suzuki-Miyaura Coupling; chemoselective reaction;70%
With palladium diacetate; sodium carbonate; triphenylphosphine; Trimethylacetic acid In chloroform at 80℃; for 24h; Reagent/catalyst; Suzuki-Miyaura Coupling;99 %Chromat.
Phenyl triflate
17763-67-6

Phenyl triflate

potassium (4-chlorophenyl)trifluoroborate

potassium (4-chlorophenyl)trifluoroborate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With palladium diacetate In ethanol at 95℃; for 0.25h; microwave irradiation;98%
4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

triphenylantimony(V) diacetate
1538-62-1, 34716-94-4

triphenylantimony(V) diacetate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 60℃; for 18h; Suzuki-type cross-coupling reaction;98%
With palladium 10% on activated carbon In N,N-dimethyl acetamide at 60℃; for 24h; Suzuki-Miyaura coupling;91 %Chromat.
bromochlorobenzene
106-39-8

bromochlorobenzene

phenyl trimethylsiloxane
2996-92-1

phenyl trimethylsiloxane

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium fluoride; propylene glycol; chloro-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]palladium In dichloromethane at 100℃; for 12h; Hiyama Coupling; Inert atmosphere;98%
With sodium hydroxide; palladium diacetate at 60℃; for 2h; Hiyama reaction;94%
With sodium hydroxide; sodium tetrachloropalladate(II); sodium dodecyl-sulfate at 100℃; for 0.0833333h; Hiyama cross-coupling;94%
tri(p-chlorophenyl)antimony diacetate

tri(p-chlorophenyl)antimony diacetate

phenylboronic acid
98-80-6

phenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With palladium 10% on activated carbon In N,N-dimethyl acetamide at 60℃; for 24h; Suzuki-Miyaura coupling;98%
tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 60℃; for 6h; Suzuki cross-coupling reaction;93%
[2-(hydroxymethyl)phenyl](dimethyl)phenylsilane
853955-69-8

[2-(hydroxymethyl)phenyl](dimethyl)phenylsilane

1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate; N-cyclohexyl-1-[2-(diphenylphosphanyl)phenyl]methanimine; palladium dichloride In water; dimethyl sulfoxide at 50℃; for 13h;98%
4-biphenylboronic acid
5122-94-1

4-biphenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With N-chloro-succinimide; copper(l) chloride In acetonitrile at 80℃; for 12h;98%
With N-chloro-succinimide In acetonitrile at 80℃; for 12h;98%
With N-chloro-succinimide; potassium acetate In acetonitrile at 50℃; for 4h;78%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

dimethylphenylborane
54098-94-1

dimethylphenylborane

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate In ethanol; water at 70℃; for 0.666667h; Suzuki coupling; Under air;98%
4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

chlorobenzene
108-90-7

chlorobenzene

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium phosphate; C58H44Cl3N3Pd In water; isopropyl alcohol at 25℃; for 3h; Reagent/catalyst; Suzuki-Miyaura Coupling; Schlenk technique;98%
With potassium phosphate; C58H44Cl3N3Pd In water; isopropyl alcohol at 20℃; for 3h; Reagent/catalyst; Suzuki-Miyaura Coupling;98%
With potassium phosphate; C22H23Br2N3Pd In water; isopropyl alcohol at 20℃; for 1.5h; Reagent/catalyst; Suzuki-Miyaura Coupling;95%
bromochlorobenzene
106-39-8

bromochlorobenzene

phenyllithium
591-51-5

phenyllithium

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With bis(tri-t-butylphosphine)palladium(0); water; sodium chloride In dibutyl ether at 20℃; for 0.00555556h; pH=6; Schlenk technique;98%
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine In dibutyl ether; toluene at 20℃; for 1h; Reagent/catalyst;87%
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine In toluene at 20℃; for 1h;87%
With [1,3-bis(2,6-diisopentylphenyl)-4,5-dichloroimidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride In toluene at -22℃; for 1h; Schlenk technique; Inert atmosphere; chemoselective reaction;87%
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine In tetrahydrofuran; toluene at 20℃; for 1h; Schlenk technique; Inert atmosphere;85%
bromochlorobenzene
106-39-8

bromochlorobenzene

potassium phenyltrifluoborate

potassium phenyltrifluoborate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;97%
With potassium carbonate; triphenylphosphine In methanol at 50℃; for 48h; Suzuki-Miyaura coupling;92%
With palladium diacetate; sodium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 80℃; for 4h; Time; Suzuki-Miyaura Coupling;87%
With palladium diacetate; potassium carbonate In methanol for 12h; Suzuki-Miyaura cross-coupling; Heating;75%
With potassium carbonate; palladium diacetate In methanol for 12h; Suzuki reaction; Heating;75%
bromochlorobenzene
106-39-8

bromochlorobenzene

triphenyltin chloride
639-58-7

triphenyltin chloride

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With potassium carbonate for 0.5h; Stille Cross Coupling;97%
With (2-methylacetatobenzyl)triphenylphosphonium hexabromodipalladate(II); potassium carbonate at 90℃; for 0.166667h; Stille Cross Coupling;95%
With potassium carbonate at 100℃; for 1.2h; Catalytic behavior; Stille Cross Coupling;95%
bromochlorobenzene
106-39-8

bromochlorobenzene

C20H25GeNO3

C20H25GeNO3

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; tetrabutyl ammonium fluoride In 2-methyltetrahydrofuran at 80℃; for 12h;97%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

sodium tetraphenyl borate
143-66-8

sodium tetraphenyl borate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With MCM-41-supported thioether palladium(0) In N,N-dimethyl-formamide at 80℃; for 6h; Suzuki coupling;96%
Stage #1: sodium tetraphenyl borate With Amberlite(R)IRA-900 resin In water
Stage #2: 1-Chloro-4-iodobenzene; palladium diacetate In N,N-dimethyl-formamide at 80℃; for 2.5h; Suzuki-Miyaura coupling reaction; Further stages.;		95%
With silica-supported diphenylphosphine palladium(0) In N,N-dimethyl-formamide at 90℃; for 12h;82%
With sodium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; Suzuki coupling; Inert atmosphere;91 %Chromat.
bromochlorobenzene
106-39-8

bromochlorobenzene

tetra-n-butylammonium phenyltrifluoroborate

tetra-n-butylammonium phenyltrifluoroborate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With caesium carbonate; 1,4-di(diphenylphosphino)-butane; palladium diacetate In 1,2-dimethoxyethane; water at 50℃; for 12h;96%
bromochlorobenzene
106-39-8

bromochlorobenzene

tetraphenyltin(IV)
595-90-4

tetraphenyltin(IV)

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); poly(ethylene glycol)-400; sodium acetate at 100℃; for 0.5h; Stille cross-coupling;96%
With bis-triphenylphosphine-palladium(II) chloride; sodium acetate In decaethylene glycol at 100℃; for 1h; Stille coupling;95%
With dmap; palladium dichloride for 0.333333h; Stille Cross Coupling; Microwave irradiation;94%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

triethoxyphenylsilane
780-69-8

triethoxyphenylsilane

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 25℃; for 1.5h; Hiyama Coupling; Irradiation; Sealed tube; Green chemistry;96%
With sodium hydroxide In water at 90℃; for 2h; Hiyama Coupling; Green chemistry;90%
With copper(l) iodide; cesium fluoride; N,N-dimethyl-2-(diphenylphosphino)aniline In N,N-dimethyl-formamide at 120℃; for 24h; Hiyama Coupling; Inert atmosphere;48%
With bis-triphenylphosphine-palladium(II) chloride; tetrabutylphosphonium 4-ethoxyvalerate; tetrabutyl ammonium fluoride at 130℃; for 24h; Hiyama Coupling; Green chemistry;48%
4-chlorophenyl trifluoromethanesulfonate
29540-84-9

4-chlorophenyl trifluoromethanesulfonate

phenylzinc chloride
28557-00-8

phenylzinc chloride

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l) In 1-methyl-pyrrolidin-2-one at 20℃; for 0.166667h; chemoselective reaction;96%
2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole
24388-23-6

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

p-chlorobenzenediazonium tetrafluoroborate
673-41-6

p-chlorobenzenediazonium tetrafluoroborate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With [tris(para(trifluoromethyl)phenyl)phosphine]gold(I) chloride In methanol at -78 - 20℃; Inert atmosphere; Irradiation;96%
4'-chlorobiphenyl-4-carboxylic acid
5748-41-4

4'-chlorobiphenyl-4-carboxylic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With triethylsilane; palladium diacetate; 2,2-dimethylpropanoic anhydride; 1,4-di(diphenylphosphino)-butane In toluene at 160℃; for 15h; chemoselective reaction;96%
5-(4-chlorophenyl)-1-methyl-1H-imidazole
1111266-89-7

5-(4-chlorophenyl)-1-methyl-1H-imidazole

phenylboronic acid
98-80-6

phenylboronic acid

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With C19H20ClN2PdSSe(1+)*BF4(1-); potassium carbonate; Trimethylacetic acid In N,N-dimethyl-formamide at 80℃; for 12h; regioselective reaction;96%
N-phenylmaleimide
83-25-0

N-phenylmaleimide

C11H13BClO3(1-)*K(1+)

C11H13BClO3(1-)*K(1+)

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

Conditions
ConditionsYield
With N,N',N''-triisopentyl citramide; silver trifluoroacetate; bis(2,2,6,6-tetramethyl-3,5-heptadionato) copper(II); tert-butyl XPhos In N,N-dimethyl acetamide at 80℃; for 4h;95.6%
4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

biphenyl
92-52-4

biphenyl

Conditions
ConditionsYield
With sodium tetrahydroborate; 2-methoxy-ethanol; nickel dichloride In tetrahydrofuran at 68℃; for 1.25h; Product distribution; other dechlorinating agents and times;100%
With potassium hydroxide; Cp*Rh(OAc)2*H2O In various solvent(s) for 17h; Heating;100%
With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether r.t., 30 min then 130 deg C, 10 min;99%
diphenylamine
122-39-4

diphenylamine

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

N,N-bis(phenyl)-4-biphenylamine
4432-94-4

N,N-bis(phenyl)-4-biphenylamine

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium 10% on activated carbon; sodium t-butanolate In 1,3,5-trimethyl-benzene for 24h; Inert atmosphere; Reflux;100%
Stage #1: diphenylamine; 4'-biphenyl chloride With palladium diacetate; sodium sulfate; sodium t-butanolate; XPhos for 1h; Buchwald-Hartwig Coupling; Milling;
Stage #2: In water; ethyl acetate for 0.0333333h; Reagent/catalyst; Buchwald-Hartwig Coupling; Milling;		51%
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole and 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
850567-47-4

1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole and 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

2-([1,1'-biphenyl]-4-yl)-1-methyl-1H-pyrrole
1101205-38-2

2-([1,1'-biphenyl]-4-yl)-1-methyl-1H-pyrrole

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; caesium carbonate; copper(l) chloride In N,N-dimethyl-formamide at 100℃; for 2h; Suzuki-Miyaura reaction; Inert atmosphere;99%
dicyanozinc
557-21-1

dicyanozinc

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

4-cyano-1,1'-biphenyl
2920-38-9

4-cyano-1,1'-biphenyl

Conditions
ConditionsYield
With sulfuric acid; palladium diacetate; zinc; XPhos In 2,4-dichlorophenoxyacetic acid dimethylamine at 120℃; for 2h; Inert atmosphere;98%
sodium cyanoacetate
1071-36-9

sodium cyanoacetate

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

4-biphenylacetonitrile
31603-77-7

4-biphenylacetonitrile

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(η3-allyl-μ-chloropalladium(II)) In 1,3,5-trimethyl-benzene at 20 - 140℃; for 5.16667h; Inert atmosphere; Sealed tube; chemoselective reaction;98%
benzylamine
100-46-9

benzylamine

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

N-benzyl-[1,1'-biphenyl]-4-amine
73842-48-5

N-benzyl-[1,1'-biphenyl]-4-amine

Conditions
ConditionsYield
With potassium phosphate In dimethyl sulfoxide at 80℃; UV-irradiation;98%
With potassium phosphate; copper(l) iodide; N1,N2-bis(2,4,6-trimethoxyphenyl)oxalamide In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere; Schlenk technique;95%
N-methylaniline
100-61-8

N-methylaniline

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

N-methyl-N-phenyl-[1,1'-biphenyl]-4-amine

N-methyl-N-phenyl-[1,1'-biphenyl]-4-amine

Conditions
ConditionsYield
Stage #1: N-methylaniline; 4'-biphenyl chloride With palladium diacetate; sodium sulfate; sodium t-butanolate; XPhos for 1.65h; Buchwald-Hartwig Coupling; Milling;
Stage #2: In water; ethyl acetate for 0.0333333h; Time; Buchwald-Hartwig Coupling; Milling;		98%
N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

N,N-dimethyl-4-biphenylamine
1137-79-7

N,N-dimethyl-4-biphenylamine

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); 7,9-bis(2,6-diisopropylphenyl)-7H-acenaphtho[1,2-d]imidazol-9-ium chloride; potassium tert-butylate In water; toluene at 35℃; for 36h; Glovebox; Sealed tube; Inert atmosphere;98%
octylmagnesium bromide
17049-49-9

octylmagnesium bromide

4'-biphenyl chloride
2051-62-9

4'-biphenyl chloride

4-octyl-1,1′-biphenyl
7116-97-4

4-octyl-1,1′-biphenyl

Conditions
ConditionsYield
Stage #1: octylmagnesium bromide With iron(III) trifluoride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride In tetrahydrofuran at 0℃; Inert atmosphere;
Stage #2: 4'-biphenyl chloride In tetrahydrofuran at 20 - 40℃; for 24h; Inert atmosphere;		97%
Stage #1: octylmagnesium bromide With iron(III) trifluoride; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In tetrahydrofuran at 0℃; Inert atmosphere;
Stage #2: 4'-biphenyl chloride In tetrahydrofuran at 40℃; for 24h; Inert atmosphere; chemoselective reaction;		97%

4-Chlorobiphenyl Specification

The 4-Chlorodiphenyl is an organic compound with the formula C12H9Cl. The IUPAC name of this chemical is 1-chloro-4-phenylbenzene. With the CAS registry number 2051-62-9, it is also named as 1,1'-Biphenyl, 4-chloro-. The product's category is Aromatics. Besides, it is a white solid.

Physical properties about 4-Chlorodiphenyl are: (1)ACD/LogP: 4.55; (2)ACD/LogD (pH 5.5): 4.55; (3)ACD/LogD (pH 7.4): 4.55; (4)ACD/BCF (pH 5.5): 1678.23; (5)ACD/BCF (pH 7.4): 1678.23; (6)ACD/KOC (pH 5.5): 7078.57; (7)ACD/KOC (pH 7.4): 7078.57; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 55.73 cm3; (11)Molar Volume: 166.6 cm3; (12)Polarizability: 22.09×10-24cm3; (13)Surface Tension: 38.9 dyne/cm; (14)Density: 1.131 g/cm3; (15)Flash Point: 127 °C; (16)Enthalpy of Vaporization: 50.71 kJ/mol; (17)Boiling Point: 289 °C at 760 mmHg; (18)Vapour Pressure: 0.00391 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is danger of cumulative effects and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of in a safe way. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ccccc1)cc2
(2)InChI: InChI=1/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: FPWNLURCHDRMHC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
(5)Std. InChIKey: FPWNLURCHDRMHC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 3500mg/kg (3500mg/kg)   Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.

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