Description

(1,1′-Biphenyl)-4-carbonitrile, 4′-butoxy- (CAS: 52709-87-2) is a high-purity organic compound with the molecular formula C₁₇H₁₇NO. This specialized chemical features a biphenyl core functionalized with a cyano group at the 4-position and a butoxy group at the 4′-position, making it a valuable intermediate for advanced material synthesis. Its rigid biphenyl structure and polar cyano functionality enhance its utility in liquid crystal displays (LCDs), organic semiconductors, and photoluminescent materials. With a purity grade suitable for research and industrial applications, this compound is rigorously tested via HPLC, GC, and NMR to ensure consistency. Packaged under inert conditions to prevent degradation, it is ideal for precision-driven applications in optoelectronics and nanotechnology.

Properties

• CAS Number: 52709-87-2
• Complexity: 290
• IUPAC Name: 4-(4-butoxyphenyl)benzonitrile
• InChI: InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
• InChI Key: KPQVQWUNELODQE-UHFFFAOYSA-N
• Exact Mass: 251.131014166
• Molecular Formula: C17H17NO
• Molecular Weight: 251.32
• SMILES: CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Topological: 33
• Monoisotopic Mass: 251.131014166
• Synonyms: 4′-Butoxy-[1,1′-biphenyl]-4-carbonitrile, [1,1′-Biphenyl]-4-carbonitrile, 4′-butoxy-, 4-Butoxycyanodiphenyl, 4-Cyano-4′-butoxybiphenyl, EINECS 258-123-2, BRN 2731691, 4′-n-Butyloxy-4-cyanobiphenyl, 4′-Butoxy-4-biphenylcarbonitrile, 4′-Butoxy-(1,1′-biphenyl)-4-carbonitrile, (1,1′-Biphenyl)-4-carbonitrile, 4′-butoxy-, 4-Cyano-4′-n-butoxybiphenyl, 4′-Butoxy(1,1′-biphenyl)-4-carbonitrile, 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile, DTXSID0068789, DTXCID6041268, 258-123-2, kpqvqwunelodqe-uhfffaoysa-n, 52709-87-2, 4-Butoxy-4′-cyanobiphenyl, 4-Butoxy-[1,1′-biphenyl]-4′-carbonitrile, 4-(4-butoxyphenyl)benzonitrile, 4OCB, 4-Cyano-4′-butyloxybiphenyl, MFCD00183755, 4′-BUTOXY-BIPHENYL-4-CARBONITRILE, SCHEMBL8939343, SCHEMBL9653965, 4′-(N-Butoxy)-4-cyanobiphenyl, 4′-Butyloxy-4-biphenylcarbonitrile, 4-Butyloxy-4′-biphenylcarbonitrile, CCG-47025, SBB067575, 4-(4-butoxyphenyl)benzenecarbonitrile, 4′-(Butyloxy)-4-biphenylcarbonitrile, AKOS001483273, DS-6476, B4300, CS-0152085, NS00032561, 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile #, 4-Butoxyl-[1,1′-biphenyl]-4′-carbonitrile, D82298, SR-01000389340, SR-01000389340-1, SR-01000389340-2, F0266-0246

This compound is widely used in the development of liquid crystal materials for display technologies due to its stable mesomorphic properties. Researchers utilize it as a building block for synthesizing advanced organic semiconductors with high charge mobility. It also serves as a key precursor in the design of photoluminescent dyes and nonlinear optical materials for sensor applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (97.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (97.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (97.4%)
• STOT SE 3 (97.4%)
• Aquatic Acute 1 (97.4%)
• Aquatic Chronic 1 (97.4%)

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