Description

Ph-4PACz (4-(3,6-diphenylcarbazol-9-yl)butylphosphonic acid) is a high-purity organic compound with the molecular formula C₂₈H₂₆NO₃P, designed for advanced research and industrial applications. This carbazole-based phosphonic acid derivative features a unique molecular structure with phenyl substitutions at the 3- and 6-positions of the carbazole core, enhancing its electronic and optoelectronic properties. With a CAS number 2814500-04-2, it is rigorously characterized by ¹H NMR, ¹³C NMR, HPLC, and mass spectrometry to ensure ≥98% purity. Ph-4PACz is supplied as a light-sensitive solid, packaged under inert gas to prevent degradation. Ideal for use in perovskite solar cells, OLEDs, and organic electronics, this compound serves as an efficient hole-transporting material (HTM) and interfacial modifier due to its excellent energy level alignment and solution processability.

Properties

• CAS Number: 2814500-04-2
• Complexity: 626
• IUPAC Name: 4-(3,6-diphenylcarbazol-9-yl)butylphosphonic acid
• InChI: InChI=1S/C28H26NO3P/c30-33(31,32)18-8-7-17-29-27-15-13-23(21-9-3-1-4-10-21)19-25(27)26-20-24(14-16-28(26)29)22-11-5-2-6-12-22/h1-6,9-16,19-20H,7-8,17-18H2,(H2,30,31,32)
• InChI Key: JUZXTPFZIJMYBS-UHFFFAOYSA-N
• Exact Mass: 455.16503069
• Molecular Formula: C28H26NO3P
• Molecular Weight: 455.5
• SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)CCCCP(=O)(O)O
• Topological: 62.5
• Monoisotopic Mass: 455.16503069
• Synonyms: Ph-4PACz, 2814500-04-2, (4-(3,6-Diphenyl-9H-carbazol-9-yl)butyl)phosphonic acid, H36908

Application

Ph-4PACz is widely employed as a hole-selective contact in perovskite solar cells (PSCs), significantly enhancing device efficiency and stability. Its phosphonic acid group enables strong binding to metal oxide substrates (e.g., ITO, SnO₂), while the carbazole moiety facilitates efficient hole extraction. Researchers utilize it in organic light-emitting diodes (OLEDs) to improve charge injection balance and reduce operating voltage. The compound also finds applications in organic thin-film transistors (OTFTs) and as a surface modifier for hybrid optoelectronic devices.

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]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (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.