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4-Cyano-4'-hexylbiphenyl

Catalog Number
ACM41122707-4
CAS Number
41122-70-7
Product Name
4-Cyano-4'-hexylbiphenyl
Category
Liquid Crystal (LC) Materials
Synonyms
4'-Hexyl-4-biphenylcarbonitrile
6CB
Description
Milky-white thick liquid. (NTP, 1992)
IUPAC Name
4-(4-hexylphenyl)benzonitrile
Molecular Weight
263.38
Molecular Formula
C19H21N
Canonical SMILES
CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
InChI Key
VADSDVGLFDVIMG-UHFFFAOYSA-N
Melting Point
14 °C
Flash Point
113 °C(235.4 °F)
Purity
>98.0%(GC)
Solubility
less than 1 mg/mL at 68° F (NTP, 1992)
Appearance
Colorless to Light orange to Yellow clear liquid to cloudy liquid
Application
4-Cyano-4'-hexylbiphenyl serves as a crucial component in the realm of thermoresponsive and electo-optical applications. This compound, notable for its white crystalline appearance, is utilized in the meso/nanostructured systems of PS-b-PEO block copolymer-dispersed liquid crystals. Through the examination of its dielectric properties, along with related compounds like 4'-hexyl-4-biphenylcarbonitrile and 4'-octyloxy-4-biphenylcarbonitrile, 4-Cyano-4'-hexylbiphenyl is proposed for use in advanced technological devices. Its potential applications include thermo-optical and electro-optical devices such as optical shutters, smart windows, optical sensors, memory devices, and flexible display technologies. Additionally, it holds promise in phase array optics, specifically as switchable birefringent phase shifters, highlighting its versatility and importance in the development of future optical technologies.
Complexity
297
Covalently-Bonded Unit Count
1
EC Number
255-228-5
Exact Mass
263.1674g/mol
Formal Charge
0
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H410 : Very toxic to aquatic life with long lasting effects.
Heavy Atom Count
20
MDL Number
MFCD00075144
Monoisotopic Mass
263.1674g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P391 : Collect spillage.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Refractive Index
1.53
Rotatable Bond Count
6
Signal Word
Warning
Specific Gravity
1.02
XLogP3
6.2
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