Description

The [1,1′-Biphenyl]-4-carbonitrile, 4′-(trans-4-pentylcyclohexyl)- (CAS: 68065-81-6) is a high-purity organic compound with the molecular formula C₂₄H₂₉N. This specialized chemical is widely recognized in the field of liquid crystal research and materials science due to its unique mesogenic properties. Its rigid biphenyl core, functionalized with a cyano group and a trans-4-pentylcyclohexyl moiety, makes it an essential component in the formulation of nematic liquid crystal mixtures for advanced electro-optical applications. The compound exhibits excellent thermal stability and compatibility with other liquid crystalline materials, ensuring optimal performance in display technologies such as LCDs. Packaged under stringent quality control, this product is ideal for researchers and industrial scientists requiring precise and reliable materials for cutting-edge applications.

Properties

• CAS Number: 68065-81-6
• Complexity: 409
• IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
• InChI: InChI=1S/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3
• InChI Key: QKEBUASRTJNJJS-UHFFFAOYSA-N
• Exact Mass: 331.229999929
• Molecular Formula: C24H29N
• Molecular Weight: 331.5
• SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
• Topological: 23.8
• Monoisotopic Mass: 331.229999929
• Synonyms: [1,1′-Biphenyl]-4-carbonitrile, 4′-(trans-4-pentylcyclohexyl)-, EINECS 268-333-6, trans-4-(4-Pentylcyclohexyl)-4′-cyanobiphenyl, (1,1′-Biphenyl)-4-carbonitrile, 4′-(trans-4-pentylcyclohexyl)-, trans-4′-(4-Pentylcyclohexyl)(1,1′-biphenyl)-4-carbonitrile, trans-4′-(4-Pentylcyclohexyl)[1,1′-biphenyl]-4-carbonitrile, [1,1′-Biphenyl]-4-carbonitrile, 4′-(4-pentylcyclohexyl)-, trans-, (1,1′-Biphenyl)-4-carbonitrile, 4′-(4-pentylcyclohexyl)-, trans-, 268-333-6, 68065-81-6, 4′-(Trans-4-pentylcyclohexyl)-[1,1′-biphenyl]-4-carbonitrile, trans-4′-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile, 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile, 4′-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile, 4-Cyano-4′-(trans-4-pentylcyclohexyl)-biphenyl, trans-4-[4-(4-n-Pentylcyclohexyl)phenyl]benzonitrile, 70711-80-7, 4′-(4-PENTYLCYCLOHEXYL)-[1,1′-BIPHENYL]-4-CARBONITRILE, C24H29N, 4-[4-(4-pentylcyclohexyl)phenyl]benzenecarbonitrile, 4-(TRANS-4-N-PENTYLCYCLOHEXYL)BIPHENYL-4′-CARBONITRILE, MFCD01076317, 5cHCB, Licristal S 1131, 4-Cyano-4′-(trans-4-pentylcyclohexyl)biphenyl, SCHEMBL223333, SCHEMBL223334, 4′-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile, DTXSID80887134, QKEBUASRTJNJJS-XUTJKUGGSA-N, SBB063423, AKOS015888892, CS-W011952, 4-(4-pentylcyclohexyl)-4′-cyanobiphenyl, DS-15539, LS-15055, DB-009053, A2568, NS00063160, ST50826218, 4-Cyano-4′-(trans-4-amylcyclohexyl)biphenyl, 4′-(4-pentyl-cyclohexyl)-biphenyl-4-carbonitrile, 4-[4-(trans-4-Amylcyclohexyl)phenyl]benzonitrile, 4-[4-(trans-4-Pentylcyclohexyl)phenyl]benzonitrile, trans-4′-(4-Amylcyclohexyl)biphenyl-4-carbonitrile, 4′-(trans-4-pentylcyclohexyl)-4-biphenylcarbonitrile, 4′-(trans-4-Pentylcyclohexyl)biphenyl-4-carbonitrile, |trans|-4-[4-(4-n-Pentylcyclohexyl)phenyl]benzonitrile, 4”-(trans-4-Pentylcyclohexyl)-[1,1”-biphenyl]-4-carbonitrile

This compound is primarily used as a key component in nematic liquid crystal formulations for display technologies, including LCD screens and optical devices. Its stable mesophase behavior and high birefringence make it suitable for high-performance electro-optical applications. Researchers also utilize it in the development of advanced materials for photonics and optoelectronics. Additionally, it serves as a reference standard in analytical chemistry for liquid crystal characterization.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 4 (50%)
• Aquatic Chronic 4 (50%)

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