4-Cyano-4'-pentylbiphenyl supplier

Name
4-Cyano-4'-pentylbiphenyl
EINECS 255-093-2
CAS No. 40817-08-1
Article Data13
CAS DataBase
Density 1.03 g/cm³
Solubility insoluble in water
Melting Point 34 °C
Formula C₁₈H₁₉N
Boiling Point 361.634 °C at 760 mmHg
Molecular Weight 249.356
Flash Point 193.491 °C
Transport Information UN 3276
Appearance white to light yellow crystal
Safety 23-26-28-36-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Amyl-4'-cyanobiphenyl;4-Cyano-4'-n-pentyl-1,1'-biphenyl;4-Cyano-4'-n-pentylbiphenyl;4-Cyano-4'-n-pentyldiphenyl;4-Cyano-4'-pentyl-1,1'-biphenyl;4-Pentyl-4'-cyanobiphenyl;4-n-Amyl-4'-cyanobiphenyl;4-n-Pentyl-4'-cyanobiphenyl;4'-Amyl-4-cyanobiphenyl;4'-Cyano-4-pentylbiphenyl;4'-Pentyl-4-biphenylcarbonitrile;4'-Pentyl-4-cyanobiphenyl;4'-n-Pentyl-4-cyanobiphenyl;p'-Cyano-p-pentylbiphenyl;
PSA 23.79000
LogP 4.95798

Synthetic route

: 544-92-3
copper(I) cyanide

: 69971-79-5
4-iodoo-4'-n-pentylbiphenyl

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 6h; Heating;	90.5%

: 63619-59-0
4-(4-pentylphenyl)bromobenzene

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Stage #1: 4-(4-pentylphenyl)bromobenzene With iodine; magnesium In tetrahydrofuran at 70℃; Stage #2: With N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 2h; Stage #3: With ammonia; iodine In tetrahydrofuran; water at 20℃; for 2h;	80%

: 623-00-7
4-bromobenzenecarbonitrile

: 159259-35-5
(dichloro)(ethyl)<4-(pentyl)phenyl>silane

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
With potassium fluoride; palladium diacetate; tris-(o-tolyl)phosphine In N,N-dimethyl-formamide at 120℃;	73%

: 80563-32-2
4-formyl-4'-n-pentylbiphenyl oxime

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
With acetic anhydride for 2h; Heating;	73%

: 630-18-2
tert-butyl isocyanide

: 63619-59-0
4-(4-pentylphenyl)bromobenzene

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Stage #1: 4-(4-pentylphenyl)bromobenzene With n-butyllithium In tetrahydrofuran; hexane at -50℃; for 0.5h; Inert atmosphere; Stage #2: tert-butyl isocyanide In tetrahydrofuran; hexane at -50 - 20℃; for 0.5h; Inert atmosphere; Further stages;	73%

: 63619-59-0
4-(4-pentylphenyl)bromobenzene

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Stage #1: 4-(4-pentylphenyl)bromobenzene With n-butyllithium In tetrahydrofuran; hexane at -70℃; for 2h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 2h; Stage #3: With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; ammonia In tetrahydrofuran; water at 20℃; for 2h;	72%

: 5807-02-3
4-morpholinoacetonitrile

: 4'-pentyl-[1,1'-biphenyl]-4-yl dimethylcarbamate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
With potassium phosphate; nickel dibromide; zinc; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 150℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;	68%

: 623-00-7
4-bromobenzenecarbonitrile

: 121219-12-3
(4-pentylphenyl)boronic acid

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium carbonate In 1,4-dioxane; water at 100℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere;	26%

: 92-52-4
biphenyl

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: AlCl3 / CH2Cl2 / 5 h / Ambient temperature 2: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h 3: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 4: 73 percent / acetic anhydride / 2 h / Heating View Scheme

: 42916-73-4
1-[1,1'-biphenyl]-4-yl-1-pentanone

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h 2: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 3: 73 percent / acetic anhydride / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1: 145.6 g / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 130 °C 2: 71.9 percent / 98percent H2SO4, HIO3, I2 / acetic acid; H2O; CCl4 / 10 h / 80 °C 3: 90.5 percent / dimethylformamide / 6 h / Heating View Scheme

: 7116-96-3
1-pentyl-4-phenylbenzene

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 2: 73 percent / acetic anhydride / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 71.9 percent / 98percent H2SO4, HIO3, I2 / acetic acid; H2O; CCl4 / 10 h / 80 °C 2: 90.5 percent / dimethylformamide / 6 h / Heating View Scheme

: 638-29-9
n-valeryl chloride

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: AlCl3 / CH2Cl2 / 5 h / Ambient temperature 2: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h 3: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 4: 73 percent / acetic anhydride / 2 h / Heating View Scheme

: 51554-95-1
4-pentylbromobenzene

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 96 percent / Mg / tetrahydrofuran / 12 h / Ambient temperature 2: 73 percent / KF / Pd(OAc)2, P(o-Tol)3 / dimethylformamide / 120 °C View Scheme

: 92-52-4
biphenyl

sulfur: sulfur

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: AlCl3 / hexane / 2 h / 45 °C 2: 145.6 g / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 130 °C 3: 71.9 percent / 98percent H2SO4, HIO3, I2 / acetic acid; H2O; CCl4 / 10 h / 80 °C 4: 90.5 percent / dimethylformamide / 6 h / Heating View Scheme

: 638-29-9
n-valeryl chloride

petroleum ether: petroleum ether

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: AlCl3 / hexane / 2 h / 45 °C 2: 145.6 g / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 130 °C 3: 71.9 percent / 98percent H2SO4, HIO3, I2 / acetic acid; H2O; CCl4 / 10 h / 80 °C 4: 90.5 percent / dimethylformamide / 6 h / Heating View Scheme

: 3058-39-7
4-iodobenzonitrile

: 121219-12-3
(4-pentylphenyl)boronic acid

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
With sodium carbonate In water; ethyl acetate; isopropyl alcohol at 50℃; for 0.00138889h; Suzuki-Miyaura coupling; Microchannel flow reactor;	99 %Chromat.

: 33228-44-3
4-pentylaniline

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water / 0.25 h / 0 °C 1.2: 0.33 h / 20 °C 2.1: potassium carbonate; palladium diacetate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / water; 1,4-dioxane / 1 h / 100 °C / Inert atmosphere View Scheme

: 7308-55-6
4-bromophenyl dimethylcarbamate

: (4-pentylphenyl)boronic acid

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium phosphate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 18 h / 90 °C / Schlenk technique; Inert atmosphere 2: nickel dibromide; 1,2-bis-(dicyclohexylphosphino)ethane; zinc; potassium phosphate / toluene / 18 h / 150 °C / Inert atmosphere; Glovebox; Sealed tube View Scheme

: 124-38-9
carbon dioxide

: 63619-59-0
4-(4-pentylphenyl)bromobenzene

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

Conditions

Conditions	Yield
Stage #1: 4-(4-pentylphenyl)bromobenzene With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine In 1,4-dioxane at 120℃; for 24h; Inert atmosphere; Sealed tube; Stage #2: carbon dioxide With 1,4-diaza-bicyclo[2.2.2]octane; copper(I) oxide; phenylsilane; ammonia In 1,4-dioxane; 1-methyl-pyrrolidin-2-one at 130℃; under 2280.15 Torr; for 24h; Sealed tube;	56 %Chromat.

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 56741-21-0
4'-pentyl-1,1'-biphenyl-4-carbaldehyde

Conditions

Conditions	Yield
With sulfuric acid; diisobutylaluminium hydride In water; ethyl acetate; toluene	99.7%
With hydrogenchloride; diisobutylaluminium hydride In dichloromethane; water; ethyl acetate; toluene	98%
With formic acid; aluminum nickel for 8h; Heating;	2.5 g
With hydrogenchloride; water; tin(ll) chloride 1) Et2O, 24 h, RT; Yield given. Multistep reaction;

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 59662-47-4
4-(4-n-pentylphenyl)benzoic acid

Conditions

Conditions	Yield
With sulfuric acid In acetic acid at 120℃;	88%
With potassium hydroxide In diethylene glycol at 100℃; for 12h; Saponification;	66%
With sodium hydroxide In ethylene glycol

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: platinum(II) chloride

: 103517-45-9
trans-{PtCl2(4-pentyl-4'-cyanobiphenyl)2}

Conditions

Conditions	Yield
In melt addn. of PtCl2 to melt of ligand (stirring, 30 min); cooling to room temp., dissolution in CHCl3, filtration (Celite), pptn. on Et2O addn., sepn. (centrifugation);	75%

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 545-06-2
trichloroacetonitrile

: 2,4-bis(trichloromethyl)-6-(4'-pentylbiphenyl)-s-triazine

Conditions

Conditions	Yield
With hydrogenchloride; aluminum tri-bromide at 0 - 23℃; for 15h; Inert atmosphere;	68%

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 7116-96-3
1-pentyl-4-phenylbenzene

Conditions

Conditions	Yield
With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 8h; Electrolysis; Green chemistry;	62%

: 719-98-2
2-((trifluoromethyl)thio)isoindoline-1,3-dione

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: C19H18F3NS

Conditions

Conditions	Yield
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate In acetonitrile at 20℃; for 12h; Inert atmosphere; Irradiation;	50%

: 109-65-9
1-bromo-butane

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 80563-44-6
1-(4'-Pentyl-biphenyl-4-yl)-pentan-1-one

Conditions

Conditions	Yield
With magnesium In tetrahydrofuran; diethyl ether for 5h; Heating; Yield given;

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 756-79-6
dimethyl methane phosphonate

A: 94110-77-7
2-(4'-n-pentyl-<1,1'-biphenyl>-4-yl)-1-(dimethoxyphosphinyl)-2-ethanone

B: [2-Imino-2-(4'-pentyl-biphenyl-4-yl)-ethyl]-phosphonic acid dimethyl ester

Conditions

Conditions	Yield
With n-butyllithium; acetic acid Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

: 756-79-6
dimethyl methane phosphonate

: [2-Imino-2-(4'-pentyl-biphenyl-4-yl)-ethyl]-phosphonic acid dimethyl ester

Conditions

Conditions	Yield
With n-butyllithium 1.) THF, -78 deg C, 10 min, 2.) THF, a) -78 deg C, 10 min, b) RT, 1 h; Yield given. Multistep reaction;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 9.4E4 Da, Mn ca. 3.8E4 Da, Mw/Mn ca. 2.5; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 10 wt percent: polymer, Mw ca. 9.4E4 Da, Mn ca. 3.8E4 Da, Mw/Mn ca. 2.5; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 10 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 9.2E4 Da, Mn ca. 3.5E4 Da, Mw/Mn ca. 2.7; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 20 wt percent: polymer, Mw ca. 9.2E4 Da, Mn ca. 3.5E4 Da, Mw/Mn ca. 2.7; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 20 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 8.2E4 Da, Mn ca. 3.2E4 Da, Mw/Mn ca. 2.7; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 20 wt percent: polymer, Mw ca. 8.2E4 Da, Mn ca. 3.2E4 Da, Mw/Mn ca. 2.7; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 20 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 8.8E4 Da, Mn ca. 3.3E4 Da, Mw/Mn ca. 2.8; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 30 wt percent: polymer, Mw ca. 8.8E4 Da, Mn ca. 3.3E4 Da, Mw/Mn ca. 2.8; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 30 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 8.7E4 Da, Mn ca. 3.2E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 40 wt percent: polymer, Mw ca. 8.7E4 Da, Mn ca. 3.2E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 40 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 8.2E4 Da, Mn ca. 3.5E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 40 wt percent: polymer, Mw ca. 8.2E4 Da, Mn ca. 3.5E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 40 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 8.0E4 Da, Mn ca. 3.4E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 50 wt percent: polymer, Mw ca. 8.0E4 Da, Mn ca. 3.4E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 50 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 7.8E4 Da, Mn ca. 3.3E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 50 wt percent: polymer, Mw ca. 7.8E4 Da, Mn ca. 3.3E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 50 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 7.1E4 Da, Mn ca. 3.1E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 60 wt percent: polymer, Mw ca. 7.1E4 Da, Mn ca. 3.1E4 Da; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 60 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 6.5E4 Da, Mn ca. 2.8E4 Da, Mw/Mn ca. 2.35; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 60 wt percent: polymer, Mw ca. 6.5E4 Da, Mn ca. 2.8E4 Da, Mw/Mn ca. 2.35; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 60 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

: 103-11-7
2-Ethylhexyl acrylate

: 40817-08-1
4-cyano-4'-pentyl-1,1'-biphenyl

polymer, Mw ca. 6.1E4 Da, Mn ca. 2.5E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 70 wt percent: polymer, Mw ca. 6.1E4 Da, Mn ca. 2.5E4 Da, Mw/Mn ca. 2.4; monomer(s): 2-ethylhexyl acrylate; 4-cyano-4\-n-pentylbiphenyl, 70 wt percent

Conditions

Conditions	Yield
at 20℃; for 0.05h; UV-irradiation;

4-Cyano-4'-pentylbiphenyl Specification

The 4-Cyano-4'-N-pentylbiphenyl, with the CAS registry number 40817-08-1, is also known as 4'-Pentyl-4-biphenylcarbonitrile. It belongs to the product categories of Biphenyl & Diphenyl Ether; Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Cyanobiphenyls & Analogs (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds; Liquid Crystals; Nematic; Organic Electronics and Photonics. Its EINECS registry number is 255-093-2. This chemical's molecular formula is C₁₈H₁₉N and molecular weight is 249.35. What's more, its IUPAC name is called 4-(4-Pentylphenyl)benzonitrile. It should be stored in a cool, dry and well-ventilated place. This chemical is a commonly used as nematic liquid crystal.

Physical properties about 4-Cyano-4'-N-pentylbiphenyl are: (1)ACD/LogP: 6.094; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.09; (4)ACD/LogD (pH 7.4): 6.09; (5)ACD/BCF (pH 5.5): 25210.27; (6)ACD/BCF (pH 7.4): 25210.27; (7)ACD/KOC (pH 5.5): 49230.53; (8)ACD/KOC (pH 7.4): 49230.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 79.174 cm³; (15)Molar Volume: 241.498 cm³; (16)Polarizability: 31.387×10^-24 cm³; (17)Surface Tension: 44.47 dyne/cm; (18)Density: 1.033 g/cm³; (19)Flash Point: 193.491 °C; (20)Enthalpy of Vaporization: 60.749 kJ/mol; (21)Boiling Point: 361.634 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 4-Cyano-4'-N-pentylbiphenyl: this chemical can be prepared by 4-formyl-4'-n-pentylbiphenyl oxime. The reaction occurs with reagent acetic anhydride and other condition of heating for 2 hours. The yield is 73 %.

4-Cyano-4'-N-pentylbiphenyl can be prepared by 4-formyl-4'-n-pentylbiphenyl oxime.

Uses of 4-Cyano-4'-N-pentylbiphenyl: it is used to produce other chemicals. For example, it can produce 4'-pentylbiphenyl-4-carboxylic acid. This reaction needs reagent H₂SO₄ and solvent acetic acid at temperature of 120 °C. The yield is 88 %.

4-Cyano-4'-N-pentylbiphenyl can produce 4'-pentylbiphenyl-4-carboxylic acid.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(c1ccc(cc1)CCCCC)cc2
(2) InChI: InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
(3) InChIKey: HHPCNRKYVYWYAU-UHFFFAOYSA-N

Product Name

4-Cyano-4'-pentylbiphenyl

Synthetic route

4-Cyano-4'-pentylbiphenyl Specification

Related Products

Hot Products