Basic information
- CAS
41122-70-7- Standard SMILES
CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
VADSDVGLFDVIMG-UHFFFAOYSA-N- Molecular formula
- C19H21N
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.16739967
Overview
Milky-white thick liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
- IUPAC
- 4-(4-hexylphenyl)benzonitrile
- English name
- 4'-Hexyl-4-biphenylcarbonitrile
- Molecular formula
- C19H21N
- Molecular weight
- 263.38
Names & synonyms
41122-70-74-Hexyl-4'-cyanobiphenyl4'-Hexyl-4-biphenylcarbonitrile4'-Hexyl-[1,1'-biphenyl]-4-carbonitrile4'-hexylbiphenyl-4-carbonitrile4-N-HEXYL-4'-CYANOBIPHENYLEINECS 255-228-5CCRIS 6044DTXSID4025404(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-[1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-4-Cyano-4'-n-hexylbiphenyl
Show more names
6CBK18CYKK1C18PIG46RO-CM-5118Cytokeratin endo BTIMTEC-BB SBB008608
4'-Hexyl(1,1'-biphenyl)-4-carbonitrile4'-Hexyl[1,1'-biphenyl]-4-carbonitrileDTXCID9054044'-HEXYL-(1,1'-BIPHENYL)-4-CARBONITRILERefChem:204002CB 6 (LIQUID CRYSTAL)P-HEXYL-P'-CYANOBIPHENYLK 18 (LIQUID CRYSTAL)
Database identifiers
- CAS
41122-70-7- PubChem CID
- 38764
- DTXSID
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Pointgreater than 220 °F (NTP, 1992)
Physical DescriptionMilky-white thick liquid. (NTP, 1992)
Physicochemical properties
- Melting point
- 30.5 ℃ · 30.5℃ (polymorph)
- Boiling point
- 185 °C/2mmHg · 185°C/2mmHg(lit.)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- refractive index
- 1.53 · 1.53
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- liquid crystal (nematic)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupNitriles
Reactivity Profile
Nitriles, such as 4-N-HEXYL-4'-CYANOBIPHENYL, 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.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-: ACTIVE
Applications
UsesUsed in thermoresponsive meso/nanostructured PS-b-PEO block copolymer-dispersed liquid crystal.4′-hexyl-4-biphenylcarbonitrile, 4′-octyloxy-4-biphenylcarbonitrile and their composite liquid crystals were studied for dielectric properties.Proposed applications are in the field of thermo- and electro optical devices (e.g. optical shutters, smart windows, optical sensors,memories and flexible display devices), n phase array optics (e.g. as switchable birefringent phase shifters).
General DescriptionMilky-white thick liquid.
Upstream & downstream products
Upstream raw materials
Suppliers71 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
1 records
Compound notes
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