2,2-Bis(4-carboxyphenyl)hexafluoropropane

Base Information

• Chemical Name: 2,2-Bis(4-carboxyphenyl)hexafluoropropane
• CAS No.: 1171-47-7
• Deprecated CAS: 936941-90-1
• Molecular Formula: C17H10F6O4
• Molecular Weight: 392.254
• Hs Code.: 29173990
• European Community (EC) Number: 628-620-2
• DSSTox Substance ID: DTXSID1061576
• Nikkaji Number: J236.200G
• Wikidata: Q72444591
• Mol file: 1171-47-7.mol

Synonyms:1171-47-7;2,2-Bis(4-carboxyphenyl)hexafluoropropane;4,4'-(Perfluoropropane-2,2-diyl)dibenzoic acid;4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid;4,4'-(Hexafluoroisopropylidene)bis(benzoic acid);C17H10F6O4;Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-;2,2-Bis[4-carboxyphenyl]hexafluoropropane;Benzoic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-;4-[1-(4-carboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzoic acid;YSWG561;SCHEMBL336470;DTXSID1061576;4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dibenzoic acid;MFCD00040931;AKOS005063971;C17-H10-F6-O4;PS-10988;2,2-Bis-(4-carboxyphenyl)hexafluoropropane;B1401;CS-0121108;FT-0609170;4,4'-(hexafluoroisopropylidene)dibenzoic acid;4,4-(perfluoropropane-2,2-diyl)dibenzoic acid;D88800;A803724;J-003518;4,4'-(Hexafluoroisopropylidene)bis(benzoic acid), 98%;4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis-benzoic acid

Chemical Property of 2,2-Bis(4-carboxyphenyl)hexafluoropropane

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Melting Point: 272-274 °C(lit.)
• Refractive Index: 1.454
• Boiling Point: 424.4 °C at 760 mmHg
• PKA: 3.45±0.10(Predicted)
• Flash Point: 210.5 °C
• PSA: 74.60000
• Density: 1.505 g/cm³
• LogP: 4.49370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 392.04832777
• Heavy Atom Count: 27
• Complexity: 505

Purity/Quality:

98% ^*data from raw suppliers

2,2-Bis(4-carboxyphenyl)hexafluoropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F
• Uses: 4,4′-(Hexafluoroisopropylidene)bis(benzoic acid) is suitable for use as monomer in the synthesis of polyoxadiazole and polytriazole. It may be used:in the solvothermal synthesis of new coordination compounds with different transition metal ionsas bent ligand in the solvothermal synthesis of metal-organic coordination polymersin the synthesis of RPF-4, a family of polymeric frameworks

Technology Process of 2,2-Bis(4-carboxyphenyl)hexafluoropropane

There total 2 articles about 2,2-Bis(4-carboxyphenyl)hexafluoropropane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.3%

1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane (1095-77-8) → 2,2-bis(4-carboxyphenyl)hexafluoropropane (1171-47-7,936941-90-1)

Guidance literature:

With oxygen; at 90 - 120 ℃; under 760.051 Torr; Reagent/catalyst; Temperature; Industrial scale;

Reference yield:

→ 2,2-bis(4-carboxyphenyl)hexafluoropropane (1171-47-7,936941-90-1)

Guidance literature:

entspr. Me-Verb. I (X=Me), CrO3;

Reference yield: 92.3%

copper(II) nitrate trihydrate + 2,2-bis(4-carboxyphenyl)hexafluoropropane (1171-47-7,936941-90-1) → copper((4,4'-hexafluoroisopropylidene)bis(benzoate))((4,4'-hexafluoropropylidene)bis(benzoic acid))0.5

Guidance literature:

In water; Cu salt, ligand and deionized water (molar ratio 1:3:2778) heated at 150°C for 12 h; washed with DMF and then with deionized water; dried in air; elem. anal.;

DOI:10.1021/ja0392871

upstream raw materials:

1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane

Downstream raw materials:

2,2-bis(4-chlorocarbonylphenyl)-hexafluoropropane

2,2-bis(4-aminophenyl)hexafluoropropane

[Co(4,4'-hexafluoroisopropylidene)bis(benzoate))(1,3-di(4-pyridyl)propane)]*MeOH

Refernces

Syntheses, crystal structure, and luminescence properties of three new Cd(II) polymers based on different conformational carboxylates

10.1016/j.molstruc.2010.12.006

The research focuses on the synthesis, crystal structure, and luminescence properties of three new Cd(II) coordination polymers constructed using different carboxylate linkers and the pharmaceutical agent 1H-imidazo[4,5-f][1,10]-phenanthroline (IP). The chemicals that played a role in this research include benzene-1,2,4-tricarboxylic acid (H3L1), 2,2-bis(4-carboxyphenyl)hexafluoropropane (H2L2), 1,3-phenylenediacetic acid (H2L3), IP, and cadmium sulfate. By self-assembly of IP with cadmium sulfate in the presence of these different carboxylate linkers under mild conditions, three new coordination polymers with distinct structural characteristics were obtained. These polymers all exhibit 2D structural motifs, and the backbones of the carboxylates significantly influence the construction of the complexes. The study also investigates the thermal stabilities and solid-state luminescent properties of these crystalline materials, revealing that they possess high stabilities and intense fluorescent emissions, highlighting the importance of tuning the backbone of organic ligands in the crystal engineering of metal–organic frameworks.