Description

(1,1′-Biphenyl)-4-carbonitrile, 4′-propyl- (CAS No. 58743-76-3) is a high-purity organic compound with the molecular formula C₁₆H₁₅N. This biphenyl derivative is characterized by a propyl group at the 4′ position and a nitrile functional group at the 4 position, making it a valuable intermediate in synthetic chemistry and materials science. Its IUPAC name is 4-(4-propylphenyl)benzonitrile, and it is also known by synonyms such as 4-Cyano-4′-propylbiphenyl and 4′-Propylbiphenyl-4-carbonitrile. This compound is typically supplied as a white to off-white crystalline powder with a high degree of chemical stability, suitable for research and industrial applications. It is ideal for use in liquid crystal synthesis, organic electronics, and as a building block for advanced materials. Store in a cool, dry place away from light and moisture to ensure prolonged shelf life.

Properties

• CAS Number: 58743-76-3
• Complexity: 258
• IUPAC Name: 4-(4-propylphenyl)benzonitrile
• InChI: InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
• InChI Key: XFMPTZWVMVMELB-UHFFFAOYSA-N
• Exact Mass: 221.120449483
• Molecular Formula: C16H15N
• Molecular Weight: 221.30
• SMILES: CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 221.120449483
• Synonyms: 58743-76-3, [1,1′-Biphenyl]-4-carbonitrile, 4′-propyl-, 4-Cyano-4′-propylbiphenyl, 4′-Propylbiphenyl-4-carbonitrile, EINECS 261-415-2, 4′-Propyl[1,1′-biphenyl]-4-carbonitrile, DTXSID7069285, (1,1′-Biphenyl)-4-carbonitrile, 4′-propyl-, 4′-Propyl(1,1′-biphenyl)-4-carbonitrile, DTXCID9042465, 261-415-2, xfmptzwvmvmelb-uhfffaoysa-n, 4′-Propyl-[1,1′-biphenyl]-4-carbonitrile, 4-Propyl-4′-cyanobiphenyl, 4-(4-propylphenyl)benzonitrile, 4-Cyano-4′-n-propylbiphenyl, 4-(4-propylphenyl)benzenecarbonitrile, 4′-Propyl-4-cyanobiphenyl, MFCD00505987, SCHEMBL1982658, SCHEMBL2041798, 4′-Propylbiphenyl-4-carbonitril, 4′-Propyl-4-biphenylcarbonitrile, SBB059227, AKOS015914666, CS-W014732, SB66819, DS-15533, C2764, NS00034009, ST50825721, 4′-Propyl[1,1′-biphenyl]-4-carbonitrile #, 4′-Propyl[1,1′-biphenyl]-4-carbonitrile; 4-(4′-Propylphenyl)benzonitrile

Application

(1,1′-Biphenyl)-4-carbonitrile, 4′-propyl- is widely used as a key intermediate in the synthesis of liquid crystals for display technologies. Its rigid biphenyl core and polar nitrile group contribute to the mesomorphic properties required for LCD applications. Researchers also employ this compound in the development of organic semiconductors and photonic materials due to its conjugated structure. Additionally, it serves as a precursor in pharmaceutical and agrochemical research for constructing complex aromatic systems.

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