ChemicalBook--->CAS DataBase List--->41424-11-7

41424-11-7

41424-11-7 Structure

41424-11-7 Structure
IdentificationBack Directory
[Name]

4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE
[CAS]

41424-11-7
[Synonyms]

chb
6OCB
Brn 2216640
AKOS BAR-2144
liquidcrystal549
4-hexyloxycyanodiphenyl
4-Cyano-4'-hexoxybiphenyl
4-cyano-4’-hexyloxydiphenyl
4-CYANO-4'-HEXYLOXYBIPHENYL
4-(Hexyloxy)-4'-cyanobiphenyl
4-(4-hexyloxyphenyl)benzonitrile
4-Cyano-4'-n-hexyloxybiphenyl, 97%
4-(4'-N-HEXYLOXYPHENYL)BENZONITRILE
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE
4'-(Hexyloxy)biphenyl-4-carbonitrile
4-(Hexyloxy)biphenyl-4'-carbonitrile
4’-Hexyloxy-[1,1’-biphenyl]-4-carbonitrile
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE, 96 %
4'-(Hexyloxy)[1,1'-biphenyl]-4-carbonitrile
1’-biphenyl)-4-carbonitrile,4’-(hexyloxy)-(
1’-biphenyl]-4-carbonitrile,4’-(hexyloxy)-[
4’-(hexyloxy)-(1,1’-biphenyl)-4-carbonitrile
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
[EINECS(EC#)]

255-358-2
[Molecular Formula]

C19H21NO
[MDL Number]

MFCD00134145
[MOL File]

41424-11-7.mol
[Molecular Weight]

279.38
Chemical PropertiesBack Directory
[Melting point ]

56-58 °C(lit.)
[Boiling point ]

430.5±38.0 °C(Predicted)
[density ]

1.05±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid crystal (nematic)
[color ]

White to Almost white
[Water Solubility ]

Slightly soluble in water.
[λmax]

298nm(EtOH)(lit.)
[CAS DataBase Reference]

41424-11-7
[NIST Chemistry Reference]

[1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-(41424-11-7)
[EPA Substance Registry System]

[1,1'-Biphenyl]4-carbonitrile, 4'-(hexyloxy)-(41424-11-7)
Hazard InformationBack Directory
[Chemical Properties]

white crystal
[Uses]

Intermediates of Liquid Crystals
[General Description]

Also known as 6OCBs,these liquid crystals (LCs) are responsive to small changes in temperature, shear, electric (or magnetic) fields, and the structure of solid surfaces with which they are in contact. In LCs exhibiting smectic phases, such as these, the molecules show a degree of translational order and tend to align themselves in layers.
[Synthesis]

1-Bromohexane

111-25-1

4'-Hydroxy-4-biphenylcarbonitrile

19812-93-2

4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE

41424-11-7

General method: 4'-hydroxybiphenyl-4-carbonitrile (20.0 g, 0.1 mol), potassium carbonate (28.0 g, 0.2 mol) and N,N-dimethylformamide (600 mL) were added sequentially in a 1000 mL three-necked flask with magnetic stirring turned on. Subsequently, 1-bromohexane (20.0 g, 0.12 mol) was added slowly and dropwise, and after addition, the reaction system was warmed up to 120 °C and kept for 48 hours. Upon completion of the reaction, the mixture was cooled to room temperature, slowly poured into ice water (1000 mL) and left overnight to allow the product to fully precipitate. The solid product was collected by filtration and purified by recrystallization with ethanol.

[References]

[1] Tetrahedron, 2012, vol. 68, # 39, p. 8172 - 8180
[2] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1192 - 1195
[3] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 6, p. 1310 - 1314
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

DV1764200
[TSCA ]

Yes
[HS Code ]

29269090
[Toxicity]

LD50 oral in rat: > 10gm/kg
Spectrum DetailBack Directory
[Spectrum Detail]

4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE(41424-11-7)MS
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE(41424-11-7)1HNMR
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE(41424-11-7)13CNMR
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE(41424-11-7)IR1
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE(41424-11-7)Raman
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