41122-70-7

Basic information

• Product Name: 4'-HEXYL-4-BIPHENYLCARBONITRILE
• Synonyms: 1,1'-Biphenyl, 4-cyano-4'-hexyl-;1’-Biphenyl)-4-carbonitrile,4’-hexyl-(1;1’-biphenyl]-4-carbonitrile,4’-hexyl-[;4'-Hexyl[1,1'-biphenyl]-4-carbonitrile;4-n-hexyl-4’-cyanobiphenyl;K18;RO-CM-5118;TIMTEC-BB SBB008608
• CAS NO: 41122-70-7
• Molecular Formula: C₁₉H₂₁N
• Molecular Weight: 263.38
• EINECS: 255-228-5
• Product Categories: Liquid Crystals;Nematic;Organic Electronics and Photonics
• Mol File: 41122-70-7.mol

Chemical Properties

• Melting Point: 30.5℃ (polymorph)
• Boiling Point: 185°C/2mmHg(lit.)
• Flash Point: >230 °F
• Appearance: /liquid crystal (nematic)
• Density: 1.022 g/cm³
• Refractive Index: 1.53
• Storage Temp.: -20°C
• Water Solubility: Sparingly Soluble in water (3.2E-5 g/L) (25°C).
• CAS DataBase Reference: 4'-HEXYL-4-BIPHENYLCARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-HEXYL-4-BIPHENYLCARBONITRILE(41122-70-7)
• EPA Substance Registry System: 4'-HEXYL-4-BIPHENYLCARBONITRILE(41122-70-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: UN 3082 9/PG III
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 9
• PackingGroup: III
• Hazardous Substances Data: 41122-70-7(Hazardous Substances Data)

Usage

Uses

Used in Thermoresponsive Meso/Nanostructured PS-b-PEO Block Copolymer-Dispersed Liquid Crystal:
4'-HEXYL-4-BIPHENYLCARBONITRILE is used as a component in thermoresponsive meso/nanostructured PS-b-PEO block copolymer-dispersed liquid crystals for its dielectric properties and ability to respond to temperature changes.
Used in Thermoand Electro Optical Devices:
4'-HEXYL-4-BIPHENYLCARBONITRILE is used as a key material in the development of thermoand electro optical devices, such as optical shutters, smart windows, optical sensors, memories, and flexible display devices, due to its dielectric properties and ability to control light transmission.
Used in Phase Array Optics:
In the field of phase array optics, 4'-HEXYL-4-BIPHENYLCARBONITRILE is used as a switchable birefringent phase shifter, allowing for the manipulation of light waves and improving the performance of optical systems.
Used in Composite Liquid Crystals:
4'-HEXYL-4-BIPHENYLCARBONITRILE, along with 4′-octyloxy-4-biphenylcarbonitrile, is used in the study and development of composite liquid crystals for their dielectric properties and potential applications in various optical and electronic devices.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Nitriles, such as 4'-HEXYL-4-BIPHENYLCARBONITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

Fire Hazard

4'-HEXYL-4-BIPHENYLCARBONITRILE is probably combustible.

Upstream product

• 142-61-0 Hexanoyl chloride 
• 92-52-4 biphenyl 
• 106-37-6 1.4-dibromobenzene 
• 59662-26-9 4-hexanoylbiphenyl 
• 59662-31-6 4-hexyl-1,1'-biphenyl 
• 63619-60-3 4-(n-hexyl)-4'-bromobiphenyl 
• 93972-14-6 4'-Hexyl-biphenyl-4-carbaldehyde oxime 
• 544-92-3 copper(I) cyanide 
• 75056-89-2 4-n-hexyl-4'-iodobiphenyl 

Downstream Products

• 61733-35-5 4'-Hexyl-biphenyl-4-carboxylic acid 4-pentyloxy-phenyl ester 
• 61733-34-4 4'-Hexyl-biphenyl-4-carboxylic acid 4-propoxy-phenyl ester 
• 61733-19-5 4-(4-n-hexylphenyl)-benzoic acid 4'-n-pentylphenyl ester 
• 61733-18-4 4-(4-n-hexylphenyl)-benzoic acid 4'-butylphenyl ester 
• 59662-48-5 4'-hexylbiphenyl-4-carboxylic acid 

Relevant articles and documents

Synthesis of Mesogenic Compounds, Catalyzed by Metal Complexes. I. Monoalkylation and Monoarylation of 1,4-Dibromobenzene in the Synthesis of 4-n-Alkyl- and 4-n-Alkoxy-4'-Cyanobiphenyls Catalyzed by Palladium

New methods of synthesis of mesomorphic 4-n-alkyl- and 4-n-alkoxy-4'-cyanobiphenyls are developed, based on the palladium catalyzed highly selective reactions of 1,4-dibromobenzene with alkyl and aryl Grignard reagents.

SYNTHESIS OF 4-ALKYL-4'-CYANOBIPHENYLS

Liquid crystals of the 4-alkyl-4'-cyanobiphenyl group were synthesized without the use of copper cyanide. 4-Alkyl-4'-formylbiphenyls and the 4-formyloximes of 4'-alkylbiphenyl, which possess a liquid-crystalline state, were isolated.Beginning with the pentyl homolog, they form an enantiotropic nematic phase, and beginning with octyl homolog they also form a smectic meso phase.

NEW SIMPLE METHOD FOR OBTAINING 4-n-ALKYL-4 prime -CYANOBIPHENYLS.

A new method is described of obtaining 4-n-alkyl-4 prime -cyanobiphenyls from biphenyl. First biphenyl is acrylated and the resulting ketone is reduced in conditions of the Huang-Minlon reaction; next the obtained 4-n-alkylbiphenyl is converted to 4-n-alkyl-4 prime -iodobiphenyl which readily reacts with copper cyanide giving the required nitrile with a good yield.