| Identification | More | [Name]
4-Cyano-4'-ethylbiphenyl | [CAS]
58743-75-2 | [Synonyms]
2CB
4-(4'-ETHYLPHENYL)BENZONITRILE
4-CYANO-4'-ETHYLBIPHENYL
4-ETHYL-4'-CYANOBIPHENYL
4'-ETHYLBIPHENYL-4-CARBONITRILE
1’-biphenyl]-4-carbonitrile,4’-ethyl-[
1’-Biphenyl]-4-carbonitrile,4’-ethyl-[1
K6
RO-CM-5106
4-Cyano-4´
-ethylbiphenyl
4'-ethyl[1,1'-biphenyl]-4-carbonitrile
4-Ethyl-biphenylcarbonitrile
4-Ethyl-4'-Cyanobiphenyl,2CbC15H9N
Cyano-4'-ethylbiphenyl,-4
4-Cyano-4'-ethylbiphenyl,99%
4'-Ethyl-4-cyanobiphenyl
4-cyano-4'-ethyl-1,1'-biphenyl
4'-Ethyl-4-biphenylcarbonitrile | [EINECS(EC#)]
261-414-7 | [Molecular Formula]
C15H13N | [MDL Number]
MFCD00799420 | [Molecular Weight]
207.27 | [MOL File]
58743-75-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystalline powder | [Melting point ]
74-76°C | [Boiling point ]
202-205°C 3mm | [density ]
1.07±0.1 g/cm3(Predicted) | [Fp ]
202-205°C/3mm | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Almost white | [Water Solubility ]
insoluble | [Usage]
Intermediates of Liquid Crystals | [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 | [InChIKey]
DLLIPJSMDJCZRF-UHFFFAOYSA-N | [SMILES]
C1(C2=CC=C(CC)C=C2)=CC=C(C#N)C=C1 | [CAS DataBase Reference]
58743-75-2(CAS DataBase Reference) | [EPA Substance Registry System]
58743-75-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
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 eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
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 | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Uses]
Intermediates of Liquid Crystals | [Synthesis]
GENERAL METHODS: 4-bromobenzonitrile (0.5 mmol), 4-ethylphenylboronic acid (0.75 mmol), Cell-NHC-Pd catalyst (0.75 mol%), K2CO3 (1 mmol), and a solvent mixture of DMF:H2O (1:1, 2.5 mL) were sequentially added to a 25 mL round-bottom flask. Depending on the substrate, the reaction mixture was stirred vigorously at 80 °C for a specific time. Upon completion of the reaction, the solid catalyst was removed by filtration. The filtrate was extracted with ethyl acetate (3 x 5 mL), washed three times sequentially with water and saturated saline, and the organic phase was dried with anhydrous MgSO4. After filtration to remove MgSO4, the solvent was concentrated under reduced pressure to remove the solvent. The crude product was purified by preparative thin layer chromatography (TLC) with the eluent of petroleum ether/ethyl acetate (20:1) to give 4'-ethyl-4-cyanobiphenyl and the yield was calculated. | [References]
[1] Carbohydrate Polymers, 2014, vol. 114, p. 476 - 483
[2] Helvetica Chimica Acta, 2015, vol. 98, # 6, p. 805 - 818 |
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