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4'-Heptyl-4-biphenylcarbonitrile

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4'-Heptyl-4-biphenylcarbonitrile manufacturers

4'-Heptyl-4-biphenylcarbonitrile Basic information
Synthesis
Product Name:4'-Heptyl-4-biphenylcarbonitrile
Synonyms:4'-Heptyl[1,1'-biphenyl]-4-carbonitrile;1’-Biphenyl)-4-carbonitrile,4’-heptyl-(1;1’-biphenyl]-4-carbonitrile,4’-heptyl-[;4-HEPTYL-4'-CYANO-BIPHENYL;4'-N-HEPTYL-4-BIPHENYLCARBONITRILE;4'-N-HEPTYLBIPHENYL-4-CARBONITRILE;[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-;[4-(4'-N-HEPTYLOXYPHENYL)BENZONITRILE]
CAS:41122-71-8
MF:C20H23N
MW:277.4
EINECS:255-229-0
Product Categories:Liquid Crystals;Nematic;Organic Electronics and Photonics;Biphenyl & Diphenyl ether;Biphenyls (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Cyanobiphenyls & Analogs (Liquid Crystals);Functional Materials;Liquid Crystals & Related Compounds
Mol File:41122-71-8.mol
4'-Heptyl-4-biphenylcarbonitrile Structure
4'-Heptyl-4-biphenylcarbonitrile Chemical Properties
Melting point 30-32°C
Boiling point 210-211°C 2mm
density 1.01±0.1 g/cm3(Predicted)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility almost transparency in Toluene
form powder to lump to clear liquid
color White or Colorless to Almost white or Almost colorless
InChIInChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
InChIKeyZGOWXOZNUNZPAV-UHFFFAOYSA-N
SMILESC1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C#N)C=C1
CAS DataBase Reference41122-71-8(CAS DataBase Reference)
NIST Chemistry Reference[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-(41122-71-8)
EPA Substance Registry System[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- (41122-71-8)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36
RIDADR 3276
WGK Germany 3
TSCA TSCA listed
HazardClass 6.1
PackingGroup III
HS Code 29269090
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Aquatic Chronic 4
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
4'-Heptyl-4-biphenylcarbonitrile Usage And Synthesis
Synthesis

Synthetic route of 4'-Heptyl-4-biphenylcarbonitrile

Under nitrogen protection, 20 mmol of 4-bromobenzonitrile, 0.2 mmol of palladium acetate, 0.24 mmol of Ph3P and 3 mmol of zinc bromide were dissolved in 30 ml of THF, and then 50 ml of Grignard reagent prepared from 20 mmol of 4-n-heptylbromobenzene was added dropwise. After the addition was complete, the reaction was carried out at room temperature for 2 hours. The reaction mixture was then cooled in an ice-water bath, and 50 ml of a 1% (w/w) dilute salt solution was added dropwise. After the addition was complete, the mixture was stirred for 30 minutes. The organic phase was separated, and the aqueous phase was extracted twice with 50 ml of ethyl acetate. The organic phases were combined, washed twice with 50 ml of water, and the solvent was removed by rotary evaporation to obtain the crude product. The crude product was recrystallized from methanol and decolorized with activated carbon to obtain pure 4'-Heptyl-4-biphenylcarbonitrile. Yield: 68.2%.

Chemical PropertiesWhite solid
UsesIntermediates of Liquid Crystals
General Description4′-Heptyl-4-biphenylcarbonitrile (7CB) belongs to the family of thermotropic liquid crystals from the CB family. Crystal transition temperature of 7CB is 15oC and it melts at 36oC. 1
4'-Heptyl-4-biphenylcarbonitrile Preparation Products And Raw materials
Raw materials1,1'-Biphenyl, 4-heptyl-4'-iodo--->p-Heptanoylbiphenyl-->Copper(I) Cyanide
Tag:4'-Heptyl-4-biphenylcarbonitrile(41122-71-8) Related Product Information
2,3,3',4,4',5-Hexachlorobiphenyl Bifenthrin Bifendate 4-Cyanobiphenyl Bifonazole Biphenyl FIREMASTER BP-6 Benzonitrile 4'-Octyl[1,1'-biphenyl]-4-carbonitrile trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile 4-Cyano-4'-dodecylbiphenyl 4-n-Heptylbiphenyl 4-N-HEPTYLBIPHENYL 10CB 4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile 4-CYANO-4'-NONYLBIPHENYL 4'-undecyl[1,1'-biphenyl]-4-carbonitrile 4'-Heptyl-4-biphenylcarbonitrile