Description

[1,1′-Biphenyl]-4-carbonitrile, 4′-heptyl- (CAS: 41122-71-8) is a high-purity liquid crystal compound widely used in advanced display technologies and electro-optical research. With the molecular formula C₂₀H₂₃N, this cyanobiphenyl derivative exhibits excellent thermal stability and mesomorphic properties, making it ideal for applications in LCDs (Liquid Crystal Displays), optical switches, and other electro-optic devices. Its well-defined structure ensures consistent performance in alignment layers and tunable photonic materials. Packaged under inert conditions to ensure longevity, this compound is a critical material for researchers and manufacturers in the field of liquid crystal science.

Properties

• CAS Number: 41122-71-8
• Complexity: 310
• IUPAC Name: 4-(4-heptylphenyl)benzonitrile
• InChI: InChI=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
• InChI Key: ZGOWXOZNUNZPAV-UHFFFAOYSA-N
• Exact Mass: 277.183049738
• Molecular Formula: C20H23N
• Molecular Weight: 277.4
• SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 277.183049738
• Synonyms: 41122-71-8, 4-Cyano-4′-heptylbiphenyl, [1,1′-Biphenyl]-4-carbonitrile, 4′-heptyl-, p-Cyano-p’-heptylbiphenyl, EINECS 255-229-0, 4′-Heptyl-4-cyanobiphenyl, DTXSID0068280, (1,1′-Biphenyl)-4-carbonitrile, 4′-heptyl-, 4′-Heptyl(1,1′-biphenyl)-4-carbonitrile, 4′-Heptyl[1,1′-biphenyl]-4-carbonitrile, DTXCID4039865, 255-229-0, 4′-Heptyl-4-biphenylcarbonitrile, 4′-Heptyl-[1,1′-biphenyl]-4-carbonitrile, 4-Cyano-4′-n-heptylbiphenyl, 4-(4-heptylphenyl)benzonitrile, MFCD00074915, 7CB, 4-(4-heptylphenyl)benzenecarbonitrile, 4′-heptylbiphenyl-4-carbonitrile, C20H23N, 4-heptyl-4′-cyanobiphenyl, 4-n-heptyl-4′-cyanobiphenyl, SCHEMBL508486, SBB051435, AKOS015914778, CS-W012303, 4′-Heptyl-4-biphenylcarbonitrile, 98%, AS-17504, SY035725, H0812, NS00030926, ST50827413, 4′-Heptyl[1,1′-biphenyl]-4-carbonitrile #, 4 inverted exclamation mark -Heptylbiphenyl-4-carbonitrile, 4 inverted exclamation marka-Heptyl-4-biphenylcarbonitrile

This compound is primarily used as a nematic liquid crystal material in display technologies, offering stable alignment and fast response times. It serves as a key component in TN (Twisted Nematic) and STN (Super Twisted Nematic) LCDs. Researchers also utilize it in electro-optical studies due to its predictable phase behavior and compatibility with other mesogens. Its heptyl chain enhances solubility in organic matrices, making it suitable for advanced material formulations.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• 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

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (97.8%)
• Skin Irrit. 2 (95.6%)
• Eye Irrit. 2 (95.6%)
• Acute Tox. 4 (97.8%)
• STOT SE 3 (95.6%)

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