Description

4-(4-Heptylphenyl)benzoic Acid (CAS No. 58573-94-7) is a high-purity organic compound with the molecular formula C₂₀H₂₄O₂. This biphenyl derivative features a heptyl chain at the 4-position of one phenyl ring and a carboxylic acid functional group at the 4′-position of the other, making it a valuable intermediate in liquid crystal and advanced material synthesis. With a molecular weight of 296.40 g/mol, this white to off-white crystalline powder is characterized by its high thermal stability and solubility in common organic solvents such as DMF, THF, and dichloromethane. Ideal for researchers in materials science and organic chemistry, our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure ≥98% purity, meeting the stringent requirements of academic and industrial laboratories. Proper storage in a cool, dry place under inert conditions is recommended to maintain its integrity.

Properties

• CAS Number: 58573-94-7
• Complexity: 310
• IUPAC Name: 4-(4-heptylphenyl)benzoic acid
• InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
• InChI Key: XVROSBHWACAQRL-UHFFFAOYSA-N
• Exact Mass: 296.177630004
• Molecular Formula: C20H24O2
• Molecular Weight: 296.4
• SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 296.177630004
• Synonyms: 58573-94-7, 4-(4-Heptylphenyl)benzoic Acid, 4-Heptyl-4′-carboxybiphenyl, 4-(4-n-heptylphenyl)benzoic acid, 4-(4′-n-heptylphenyl)benzoic acid, 4′-HEPTYL-[1,1′-BIPHENYL]-4-CARBOXYLIC ACID, CHEMBL371684, 4-Heptylbiphenyl-4′-carboxylic Acid, 4-Heptyl-4′-biphenylcarboxylic acid, SCHEMBL4174144, SCHEMBL10865792, DTXSID60974132, 4′-Heptyl-4-biphenylcarboxylic acid, BDBM50413267, MFCD00143231, SBB059170, 4-[4-(n-heptyl)phenyl]benzoic acid, AKOS015839903, FH61793, 4-n-heptyl-biphenyl-4′-carboxylic acid, 4′-heptyl-1,1′-biphenyl-4-carboxylic acid, H0709, ST51044289, 4′-heptyl[1,1′-biphenyl]-4-carboxylic acid, D90935

Application

4-(4-Heptylphenyl)benzoic Acid is widely used as a key precursor in the synthesis of liquid crystal materials, particularly for ferroelectric and nematic phases. Its biphenyl core and flexible heptyl tail contribute to the tuning of mesomorphic properties in display technologies. Additionally, this compound serves as a building block in the development of organic semiconductors and advanced polymer matrices. Researchers also utilize it in the study of self-assembled monolayers (SAMs) and supramolecular chemistry due to its well-defined molecular structure.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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