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| CAS No.: | 58743-75-2 |
|---|---|
| Name: | [1,1'-Biphenyl]-4-carbonitrile,4'-ethyl- |
| Article Data: | 12 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C15H13N |
| Molecular Weight: | 207.275 |
| Synonyms: | 4-Ethyl-4'-cyanobiphenyl;CB 2;CB 2 (nematogen); |
| EINECS: | 261-414-7 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 74-76°C |
| Boiling Point: | 354 °C at 760 mmHg |
| Flash Point: | 168.7 °C |
| Solubility: | insoluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21-36/37/38-41-20/21/22 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3276 |
| PSA: | 23.79000 |
| LogP: | 3.78768 |
4-bromobenzenecarbonitrile
4-ethylphenylboronic acid
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With potassium carbonate In water; N,N-dimethyl-formamide at 80℃; for 2.3h; Suzuki Coupling; | 98% |
| Stage #1: 4-bromobenzenecarbonitrile; 4-ethylphenylboronic acid With potassium carbonate In dimethyl sulfoxide at 70℃; for 0.583333h; Suzuki Coupling; Stage #2: for 0.583333h; Catalytic behavior; | 98% |
| With potassium carbonate In ethanol; water at 100℃; for 0.666667h; Suzuki-Miyaura Coupling; | 97% |
| With palladium on activated charcoal at 100℃; for 2h; Suzuki Coupling; | 95% |
| With potassium carbonate In dimethyl sulfoxide at 80℃; for 2h; Catalytic behavior; Suzuki Coupling; | 84% |
4'-vinyl-[1,1'-biphenyl]-4-carbonitrile
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,2-bis-(dicyclohexylphosphino)ethane at 130℃; for 10h; Inert atmosphere; Sealed tube; chemoselective reaction; | 98% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In water at 100℃; for 0.916667h; Suzuki-Miyaura Coupling; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-cyanophenol With fluorosulfonyl fluoride; triethylamine In ethanol; water at 20℃; for 4h; Stage #2: 4-ethylphenylboronic acid With palladium diacetate; triethylamine In ethanol; water at 20℃; for 6h; | 95% |
4-ethyl-1-iodobenzene
4-cyanophenylboronic acid
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethanol; water at 50℃; for 1.1h; Catalytic behavior; Suzuki-Miyaura Coupling; | 95% |
| With potassium carbonate In ethanol; water at 50℃; for 1.4h; Catalytic behavior; Suzuki-Miyaura Coupling; | 90% |
| With potassium carbonate In ethanol; water at 70℃; for 9h; Catalytic behavior; Suzuki-Miyaura Coupling; | 72% |
p-ethylphenylmagnesium bromide
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With palladium diacetate; zinc dibromide; tri tert-butylphosphoniumtetrafluoroborate In tetrahydrofuran at 20 - 25℃; for 2.5h; Inert atmosphere; | 84% |
1-bromo-4-(4'-ethylphenyl)benzene
copper(I) cyanide
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one |
4-bromo-4'-acetylbiphenyl
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: AlCl3, LiAlH4 2: 1-methyl-pyrrolidin-2-one View Scheme |
methanesulfonamide
4-ethyl-4'-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With tetrabutylammonium tetrafluoroborate In 1,2-dichloro-ethane at 20℃; for 2.5h; Electrochemical reaction; Inert atmosphere; regioselective reaction; | 66% |
4-ethyl-4'-cyanobiphenyl
4-(4-ethylphenyl)benzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
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IUPAC Name: 4-(4-Ethylphenyl)benzonitrile
Empirical Formula: C15H13N
Molecular Weight: 207.2704
Canonical SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI: InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
EINECS: 261-414-7
Water Solubility: insoluble
Index of Refraction: 1.593
Molar Refractivity: 65.28 cm3
Molar Volume: 192.5 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.07 g/cm3
Flash Point: 168.7 °C
Enthalpy of Vaporization: 59.9 kJ/mol
Boiling Point: 354 °C at 760 mmHg
Vapour Pressure: 3.45E-05 mmHg at 25 °C
Product Categories: Biphenyl derivatives; Biphenyl & Diphenyl ether
Melting Point of 4-Cyano-4'-ethylbiphenyl (CAS NO.58743-75-2): 74-76 °C
4-Cyano-4'-ethylbiphenyl (CAS NO.58743-75-2) is used as intermediates of liquid crystals.
Hazard Codes: 
Xn
Risk Statements: 20/21-36/37/38-41-20/21/22
R20/21:Harmful by inhalation and in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
HazardClass: 6.1
PackingGroup of 4-Cyano-4'-ethylbiphenyl (CAS NO.58743-75-2): III
4-Cyano-4'-ethylbiphenyl (CAS NO.58743-75-2), its Synonyms are (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- ; 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile ; 1'-Biphenyl-4-carbonitrile,4'-ethyl- . It is white crystalline powder.
