4-Cyano-4'-ethylbiphenyl Chemical Properties

Melting point:

74-76°C

Boiling point:

202-205°C 3mm

Density 

1.07±0.1 g/cm3(Predicted)

Flash point:

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

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

[1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl- (58743-75-2)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21-36/37/38-41-20/21/22

Safety Statements 

26-36/37/39

RIDADR 

3276

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

MSDS

• Language:English Provider:ALFA

4-Cyano-4'-ethylbiphenyl Usage And Synthesis

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

4-Cyano-4'-ethylbiphenyl(58743-75-2)Related Product Information

• Trinexapac-ethyl
• ISOXADIFEN-ETHYL
• Ethyl propiolate
• Bifonazole
• Ethanol
• Biphenyl
• Benzonitrile
• Ethyl acrylate
• Ethyl cyanoacetate
• trans-Bifenthtin
• 4-Cyanobiphenyl
• ethyl-1,1'-biphenyl
• Bifenthrin
• Bifendate
• Ethyl acetate
• Ethylparaben
• 2,3,3',4,4',5-HEXACHLOROBIPHENYL
• Decabromodiphenyl oxide