422269-95-2

Basic information

• Product Name: Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)
• Synonyms: Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14);5,5'-(anthracene-9,10-diyl)diisophthalic acid;5,5'-(anthracene-9,1-diyl)diisophthalicacid;5,5'-(9,10-Anthracenediyl)diisophthalic acid
• CAS NO: 422269-95-2
• Molecular Formula: C₃₀H₁₈O₈
• Molecular Weight: 506.45912
• EINECS: -0
• Mol File: 422269-95-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 832.8±65.0 °C(Predicted)
• Appearance: /
• Density: 1.496±0.06 g/cm3(Predicted)
• PKA: 3.11±0.10(Predicted)
• CAS DataBase Reference: Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)(CAS DataBase Reference)
• NIST Chemistry Reference: Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)(422269-95-2)
• EPA Substance Registry System: Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)(422269-95-2)

Safety Data

• Hazardous Substances Data: 422269-95-2(Hazardous Substances Data)

Usage

General Description

Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14) is a chemical compound that belongs to the family of porous coordination polymers. It is known for its unique structure and properties, including a large surface area and high thermal stability. PCN-14 has been studied for its potential applications in gas storage, separation, and catalysis due to its ability to adsorb a wide range of gases and molecules. The compound has also shown promise in drug delivery systems, sensors, and other nanotechnological applications. Its versatile characteristics and potential for various industrial and scientific purposes make PCN-14 a subject of ongoing research and interest within the chemical and materials science communities.

Upstream product

• 51760-21-5 dimethyl 5-bromoisophthalate 
• 113705-11-6 9,10-diiodoanthracene 
• 523-27-3 9,10-Dibromoanthracene 
• 944392-68-1 dimethyl 5-(pinacolboryl)isophthalate 
• 1006599-74-1 5,5’-(9,10-anthracenediyl)bis(1,3-benzenedimethoxycarbonyl) 

Relevant articles and documents

Methane storage in metal-organic frameworks: Current records, surprise findings, and challenges

We have examined the methane uptake properties of six of the most promising metal organic framework (MOF) materials: PCN-14, UTSA-20, HKUST-1, Ni-MOF-74 (Ni-CPO-27), NU-111, and NU-125. We discovered that HKUST-1, a material that is commercially available in gram scale, exhibits a room-temperature volumetric methane uptake that exceeds any value reported to date. The total uptake is about 230 cc(STP)/cc at 35 bar and 270 cc(STP)/cc at 65 bar, which meets the new volumetric target recently set by the Department of Energy (DOE) if the packing efficiency loss is ignored. We emphasize that MOFs with high surface areas and pore volumes perform better overall. NU-111, for example, reaches ～75% of both the gravimetric and the volumetric targets. We find that values for gravimetric uptake, pore volume, and inverse density of the MOFs we studied scale essentially linearly with surface area. From this linear dependence, we estimate that a MOF with surface area 7500 m2/g and pore volume 3.2 cc/g could reach the current DOE gravimetric target of 0.5 g/g while simultaneously exhibiting around ～200 cc/cc volumetric uptake. We note that while values for volumetric uptake are based on ideal single crystal densities, in reality the packing densities of MOFs are much lower. Finally, we show that compacting HKUST-1 into wafer shapes partially collapses the framework, decreasing both volumetric and gravimetric uptake significantly. Hence, one of the important challenges going forward is to find ways to pack MOFs efficiently without serious damage or to synthesize MOFs that can withstand substantial mechanical pressure.