| Identification | More | [Name]
4-Cyano-4'-pentylbiphenyl | [CAS]
40817-08-1 | [Synonyms]
4-(4-AMYLPHENYL) BENZONITRILE
[4-(4'-N-PENTYLPHENYL)BENZONITRILE]
4'-AMYL-4-BIPHENYLCARBONITRILE
4-AMYL-4'-CYANOBIPHENYL
4-CYANO-4'-N-PENTYLBIPHENYL
4-CYANO-4'-PENTYLBIPHENYL
4'-N-PENTYLBIPHENYL-4-CARBONITRILE
4'-PENTYL-4-BIPHENYLCARBONITRILE
4-PENTYL-4'-CYANOBIPHENYL
5CB
L-LYSINE-DIISOCYANATE
TIMTEC-BB SBB008542
1’-biphenyl]-4-carbonitrile,4’-pentyl-[
1’-Biphenyl]-4-carbonitrile,4’-pentyl-[1
4’-pentyl-biphenyl-4-carbonitrile
4-cyano-4’-pentyldiphenyl
4'-Pentyl[1,1'-biphenyl]-4-carbonitrile
CB5
p-Cyano-p’-pentylbiphenyl
RO-CM-5115 | [EINECS(EC#)]
255-093-2 | [Molecular Formula]
C18H19N | [MDL Number]
MFCD08276480 | [Molecular Weight]
249.35 | [MOL File]
40817-08-1.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
3276 | [WGK Germany ]
3
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crysta | [Uses]
Intermediates of Liquid Crystals | [General Description]
4′-Pentyl-4-biphenylcarbonitrile (5CB) is a nematic liquid crystal. 5CB undergoes phase transition from crystalline to nematic then to isotropic state at 18oC and 35oC respectively. It may be produced by modifying biphenyl.2 | [Synthesis]
General procedure for the synthesis of 4'-n-pentyl-4-cyanobiphenyl from p-bromopentyl biphenyl: To a dry flask containing magnesium shavings (0.29 g, 12 mmol) was added a solution of 1-bromo-4-methylbenzene (1.37 g, 8.0 mmol) in tetrahydrofuran (THF, 8 mL) at room temperature. After stirring the reaction mixture for 2 h, N,N-dimethylformamide (DMF, 1.3 mL, 12 mmol) was slowly added. The reaction mixture was cooled to 0°C and stirring was continued for 2 hours. Subsequently, ammonia solution (7 mL, 28-30%) and iodine (I2, 4.06 g, 16 mmol) were added to the reaction system. After stirring the reaction mixture for 2 h at room temperature, it was poured into saturated aqueous sodium sulfite (Na2SO3) solution and extracted with chloroform (CHCl3, 3 x 30 mL). The organic layers were combined, dried with anhydrous sodium sulfite (Na2SO4) and filtered. After the solvent was removed by distillation under reduced pressure, the residue was purified by silica gel short column chromatography (eluent: hexane/ethyl acetate = 9:1, v/v) to afford pure 4-methylbenzonitrile (0.77 g) in 82% yield. | [References]
[1] Tetrahedron, 2013, vol. 69, # 5, p. 1462 - 1469 |
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