Tetrafluoroterephthalic acid

Base Information

• Chemical Name: Tetrafluoroterephthalic acid
• CAS No.: 652-36-8
• Molecular Formula: C8H2F4O4
• Molecular Weight: 238.095
• Hs Code.: 29173990
• European Community (EC) Number: 211-489-7
• NSC Number: 96897
• UNII: M6NM6WEY2H
• DSSTox Substance ID: DTXSID40215510
• Nikkaji Number: J205.934G
• Wikidata: Q72505251
• Mol file: 652-36-8.mol

Synonyms:Tetrafluoroterephthalic acid;652-36-8;2,3,5,6-Tetrafluoroterephthalic acid;Tetrafluorobenzene-1,4-dicarboxylic acid;2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid;1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-;2,3,5,6-tetrafluorobenzene-1,4-dicarboxylic acid;M6NM6WEY2H;EINECS 211-489-7;MFCD00012301;NSC-96897;2,3,5,6-Tetrafluoro terephthalic acid;perfluoroterephthalic acid;UNII-M6NM6WEY2H;YSWG221;SCHEMBL141037;Terephthalic acid, tetrafluoro-;DTXSID40215510;Tefluthrin metabolite IV (diacid);Tetrafluoroterephthalic acid, 97%;NSC96897;2,3,5,6-Tetrafluoroterephthalicacid;BBL101370;NSC 96897;STL555166;2,3,4,6-Tetrafluoroterephthalic acid;2.3.5.6-Tetrafluoroterephthalic acid;AKOS005258537;2,3,5,6-Tetrafluoroterephthlonic Acid;AS-17696;SY016217;P-TETRAFLUOROBENZENEDICARBOXYLIC ACID;AM20040960;CS-0043329;FT-0632753;T0930;EN300-158945;2,3,5,6-TETRAFLUOROBENZENE-1,4-DIOIC ACID;2,5,7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBOXYLICACIDMETHYLESTER

Chemical Property of Tetrafluoroterephthalic acid

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 3.98E-05mmHg at 25°C
• Melting Point: 275-277 °C (dec.)(lit.)
• Refractive Index: 1.522
• Boiling Point: 337.9 °C at 760 mmHg
• PKA: 0.95±0.10(Predicted)
• Flash Point: 158.1 °C
• PSA: 74.60000
• Density: 1.812 g/cm³
• LogP: 1.63940
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: very faint turbidity in hot Water
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 237.98892119
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

99.9% ^*data from raw suppliers

2,3,5,6-TetrafluoroterephthalicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O
• Uses: 2,3,5,6-Tetrafluoroterephthalic Acid is used in the preparation of zinc/nickel/copper imidazolylpyridinone tetrafluoroterephthalate.

Technology Process of Tetrafluoroterephthalic acid

There total 25 articles about Tetrafluoroterephthalic acid 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: 95.0%

carbon dioxide (124-38-9,18923-20-1) + 1,2,4,5-Tetrafluorobenzene (327-54-8) → 2,3,5,6-tetrafluoroterephthalic acid (652-36-8)

Guidance literature:

1,2,4,5-Tetrafluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 4.5h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1021/ic1009829

Reference yield: 44.0%

carbon dioxide (124-38-9,18923-20-1) + 1,2,4,5-Tetrafluorobenzene (327-54-8) → 2,3,5,6-tetrafluoroterephthalic acid (652-36-8) + 2,3,5,6-tetrafluorobenzoic acid (652-18-6)

Guidance literature:

1,2,4,5-Tetrafluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -75 - -60 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -70 - 20 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 0 ℃;

DOI:10.1021/ic1009829

Reference yield:

tetrachloroterephthaloyl dichloride (719-32-4) → 2,3,5,6-tetrafluoroterephthalic acid (652-36-8)

Guidance literature:

tetrachloroterephthaloyl dichloride; With potassium fluoride; In sulfolane; at 100 - 145 ℃;

With water; potassium hydroxide; In sulfolane; toluene;

upstream raw materials:

1,2,4,5-Tetrafluor-3.6-bis--benzol

1,2,4,5-Tetrafluor-3--6--benzol

1,2,4,5-tetrafluoro-3,6-bis[(E)-prop-1-en-1-yl]benzene

1,2,4,5-tetrafluoro-3,6-bis-trifluoromethyl-benzene

Downstream raw materials:

dimethyl 2,3,5,6-tetrafluoroterephthalate

2,3,5,6-tetrafluorobenzene-1,4-dicarbonyl dichloride

2,3,5,6-tetrafluorobenzoic acid

2,3,5,6-tetrafluoro-4-(hydroxymethyl)benzoic acid

Refernces

• 1、 -. "CARBOXYLATION CATALYSTS". Paragraph 0093; 0095. . Retrieved 2013/04/13.
• 2、 Boogaerts, Ine I. F.,Nolan, Steven P.. "Carboxylation of C-H bonds using N -heterocyclic carbene gold(I) complexes". supporting information; experimental part. p. 8858 - 8859. Retrieved 2010/08/21.