Description

4′-[(S)-2-Methylbutyl]biphenyl-4-carbonitrile (CAS: 59137-36-9) is a high-purity organic compound with the molecular formula C₁₈H₁₉N, designed for advanced research and industrial applications. This chiral biphenyl derivative features a nitrile functional group and a stereospecific 2-methylbutyl substituent, making it a valuable intermediate in liquid crystal synthesis, pharmaceutical development, and materials science. Its rigid biphenyl core and polar nitrile moiety enhance its utility in molecular self-assembly and optoelectronic applications. Supplied as a crystalline solid with >98% purity (HPLC), this compound is rigorously tested for consistency, ensuring optimal performance in sensitive experiments. Ideal for researchers investigating chiral dopants, mesogenic properties, or novel organic semiconductors.

Properties

• CAS Number: 59137-36-9
• Complexity: 297
• IUPAC Name: 4-[4-(2-methylbutyl)phenyl]benzonitrile
• InChI: InChI=1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3
• InChI Key: DNJQGRFZQMOYGM-UHFFFAOYSA-N
• Exact Mass: 249.151749610
• Molecular Formula: C18H19N
• Molecular Weight: 249.3
• SMILES: CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 249.151749610
• Synonyms: 4′-[(S)-2-Methylbutyl]biphenyl-4-carbonitrile, 64240-67-1, 59137-36-9, 4′-(2-Methylbutyl)-[1,1′-biphenyl]-4-carbonitrile, (S)-4-(2-Methylbutyl)biphenyl-4′-carbonitrile, starbld0019058, SCHEMBL91895, 4-(2-methylbutyl)-4′-cyanobiphenyl, LS-14641, (S)-4-Cyano-4′-(2-methylbutyl)biphenyl, N-(6-aminohexyl)imidazole-1-carboxamide,hydrochloride

This compound serves as a key chiral dopant in liquid crystal displays (LCDs), enhancing optical properties and response times. Researchers utilize it in the development of ferroelectric and nematic liquid crystal phases due to its stereospecific side chain. It is also employed in organic electronics as a building block for charge-transport materials and in medicinal chemistry for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

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

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.