Description

[1,1′-Biphenyl]-4-carbonitrile, 4′-butyl- (CAS No. 52709-83-8) is a high-purity organic compound with the molecular formula C₁₇H₁₇N. Also known as 4-Cyano-4′-butylbiphenyl, this specialized chemical is widely utilized in advanced research and industrial applications. Its IUPAC name is 4-(4-butylphenyl)benzonitrile, reflecting its biphenyl core structure substituted with a butyl group and a nitrile functionality. This compound is characterized by its excellent stability and compatibility in synthetic organic chemistry, making it a valuable intermediate for pharmaceuticals, liquid crystals, and material science applications. Available in various quantities, our product undergoes rigorous quality control to ensure >98% purity (HPLC/GC), meeting the stringent requirements of researchers and scientists.

Properties

• CAS Number: 52709-83-8
• Complexity: 271
• IUPAC Name: 4-(4-butylphenyl)benzonitrile
• InChI: InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
• InChI Key: PJPLBHHDTUICNN-UHFFFAOYSA-N
• Exact Mass: 235.136099547
• Molecular Formula: C17H17N
• Molecular Weight: 235.32
• SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 235.136099547
• Synonyms: 52709-83-8, 4-Cyano-4′-butylbiphenyl, [1,1′-Biphenyl]-4-carbonitrile, 4′-butyl-, 4′-Butyl[1,1′-biphenyl]-4-carbonitrile, EINECS 258-119-0, 4′-Butyl-4-cyanobiphenyl, DTXSID0068785, (1,1′-Biphenyl)-4-carbonitrile, 4′-butyl-, 4′-Butyl(1,1′-biphenyl)-4-carbonitrile, DTXCID6041264, 258-119-0, 4′-Butyl-[1,1′-Biphenyl]-4-carbonitrile, 4′-Butyl-4-biphenylcarbonitrile, 4-BUTYL-4′-CYANOBIPHENYL, 4-N-Butyl-4′-cyanobiphenyl, 4-(4-butylphenyl)benzonitrile, MFCD00506009, 4CB, 4-(4-butylphenyl)benzenecarbonitrile, 4-n-Butyl-4 inverted exclamation marka-cyanobiphenyl, RL8FB56WM3, 4-Cyano-4′-Butyl Biphenyl, SCHEMBL2034343, SBB008623, AKOS015836413, CS-W010328, DS-15530, SY049199, DB-009036, 4′-Butyl[1,1′-biphenyl]-4-carbonitrile #, B4923, NS00032557, ST50825851, 4-Butyl-4 inverted exclamation mark -cyanobiphenyl

Application

This compound serves as a key intermediate in the synthesis of liquid crystal displays (LCDs) due to its mesogenic properties. It is also employed in organic synthesis for constructing complex biphenyl derivatives used in pharmaceuticals and agrochemicals. Researchers utilize it in material science for developing advanced organic electronic materials.

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.