Description

4-(4-Ethylcyclohexyl)benzonitrile (CAS No. 72928-54-2) is a high-purity organic compound with the molecular formula C₁₅H₁₉N. This benzonitrile derivative features a cyclohexyl substituent at the 4-position, further modified with an ethyl group, making it a valuable intermediate in synthetic chemistry and materials science. Its rigid aromatic-cyclohexyl structure lends itself to applications in liquid crystal displays (LCDs), advanced polymers, and pharmaceutical research. Available in >98% purity (HPLC), this compound is supplied as a white to off-white crystalline powder, ensuring consistency for sensitive applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Key analytical data includes:

• Molecular Weight: 213.32 g/mol
• Melting Point: 85-89°C
• Boiling Point: 350°C at 760 mmHg (estimated)
• Density: 1.01 g/cm³ at 25°C

HPLC and NMR spectra are available upon request to verify lot-specific purity.

Properties

• CAS Number: 72928-54-2
• Complexity: 246
• IUPAC Name: 4-(4-ethylcyclohexyl)benzonitrile
• InChI: InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
• InChI Key: BBHJTCADCKZYSO-UHFFFAOYSA-N
• Exact Mass: 213.151749610
• Molecular Formula: C15H19N
• Molecular Weight: 213.32
• SMILES: CCC1CCC(CC1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 213.151749610
• Synonyms: 4-(4-Ethylcyclohexyl)benzonitrile, 72928-54-2, 73592-81-1, 4-(trans-4-Ethylcyclohexyl)benzonitrile, trans-4-(4-Ethylcyclohexyl)benzonitrile, 1-Cyano-4-(trans-4-ethylcyclohexyl)benzene, Benzonitrile, 4-(trans-4-ethylcyclohexyl)-, C15H19N, 4-(Trans-4-Ethylcyclohexyl)-benzonitrile, MFCD09750932, Benzonitrile, 4-(4-ethylcyclohexyl)-, EINECS 277-084-2, 2cHCP, trans-4-Ethylcyclohexyl-4′-benzonitrile, trans-4-(4-Ethyl-cyclohexyl)-benzonitrile, PCH2, Benzonitrile, 4-(4-ethylcyclohexyl)-, trans-, SCHEMBL7509180, SCHEMBL7899393, BBHJTCADCKZYSO-UHFFFAOYSA-, DTXSID20888322, BBHJTCADCKZYSO-MQMHXKEQSA-N, AKOS015838521, AKOS015888898, CS-W014966, SB66612, DS-13122, DS-15540, 4-(4-Ethylcyclohexyl)benzonitrile, (E)-, DB-030455, CS-0152473, E0703, NS00060019, F16556, InChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3

Application

This compound serves as a key building block in the synthesis of advanced liquid crystal materials for display technologies, where its rigid-rod molecular structure enhances mesophase stability. Researchers utilize it as a precursor for photoactive polymers in organic electronics due to its electron-withdrawing nitrile group. In pharmaceutical development, the ethylcyclohexyl moiety provides conformational restriction for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (50%): Toxic if inhaled [Danger 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, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Acute Tox. 3 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 3 (50%)
• Aquatic Chronic 4 (50%)

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