Description

(1,1′-Biphenyl)-4,4′-dicarbonitrile (CAS No. 1591-30-6) is a high-purity organic compound with the molecular formula C₁₄H₈N₂, widely utilized in advanced material science and chemical synthesis. This aromatic dinitrile derivative, also known as 4,4′-Dicyanobiphenyl, features a rigid biphenyl core with terminal cyano groups, making it an excellent building block for liquid crystals, polymers, and coordination chemistry. Its high thermal stability and electron-withdrawing properties enable applications in OLEDs, photovoltaic materials, and as a ligand in metal-organic frameworks (MOFs). Available in crystalline powder form, this compound is rigorously tested for purity (≥98% by HPLC) and is packaged under inert conditions to ensure stability. Ideal for researchers in materials science, organic electronics, and supramolecular chemistry.

Properties

• CAS Number: 1591-30-6
• Complexity: 279
• IUPAC Name: 4-(4-cyanophenyl)benzonitrile
• InChI: InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
• InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N
• Exact Mass: 204.068748264
• Molecular Formula: C14H8N2
• Molecular Weight: 204.23
• SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
• Topological: 47.6
• Monoisotopic Mass: 204.068748264
• Synonyms: 4,4′-BIPHENYLDICARBONITRILE, [1,1′-Biphenyl]-4,4′-dicarbonitrile, 4,4′-Dicyanobiphenyl, 4,4′-Diphenyldicarbonitrile, (1,1′-Biphenyl)-4,4′-dicarbonitrile, EINECS 216-468-6, 39C3SL9TAG, NSC 87879, NSC-87879, DTXSID2061806, DTXCID9035121, kaxyylcssxfxkr-uhfffaoysa-n, 1591-30-6, Biphenyl-4,4′-dicarbonitrile, 4,4′-Dicyanodiphenyl, 4-(4-cyanophenyl)benzonitrile, MFCD00013805, 1,1′-Biphenyl-4,4′-dicarbonitrile, 4,4 inverted exclamation mark -Biphenyldicarbonitrile, 4-(4-cyanophenyl)benzenecarbonitrile, 4,4-Bibenzonitrile, 4,4-Dicyanodiphenyl, 4,4′-Bibenzonitrile, 4,4′-Dibenzonitrile, [1,4′-dicarbonitrile, Maybridge3_005590, WLN: NCR DR DCN, UNII-39C3SL9TAG, SCHEMBL26246, YSWG189, 4,4”-Biphenyldicarbonitrile, HMS1446O02, BCP32356, NSC87879, 4,4′-Biphenyldicarbonitrile, 97%, SBB008455, 4,4′-BIPHENYLDICARBONITRILE, AKOS015836412, FB34533, RS-1004, IDI1_016977, AC-27900, SY049676, DB-043415, B1181, CS-0110274, NS00021710, ST50825527, [1,1′-Biphenyl]-4,4′-dicarbonitrile;Biphenyl-4,4′-dicarbonitrile

Application

(1,1′-Biphenyl)-4,4′-dicarbonitrile serves as a key precursor in the synthesis of liquid crystals for display technologies due to its rigid biphenyl structure. It is also employed in the development of organic semiconductors and electron-transport materials for OLED devices. Additionally, its cyano groups facilitate use as a linker in porous coordination polymers and MOFs for gas storage applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (90.9%)
• Acute Tox. 4 (100%)

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