4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid

Base Information

• Chemical Name: 4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid
• CAS No.: 3016-76-0
• Molecular Formula: C19H10F6O8
• Molecular Weight: 480.274
• Hs Code.: 2917399090
• European Community (EC) Number: 221-154-7
• DSSTox Substance ID: DTXSID8062789
• Nikkaji Number: J205.318G
• Wikidata: Q72513401
• Mol file: 3016-76-0.mol

Synonyms:3016-76-0;4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid;4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID;4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid;C19H10F6O8;4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid;EINECS 221-154-7;MFCD01321414;1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-;1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-;4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid;SCHEMBL109108;DTXSID8062789;AMY6822;AC7994;AKOS005063444;C19-H10-F6-O8;1,2-Benzenedicarboxylic acid,4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-;DS-14593;SY112864;CS-0157129;FT-0657231;2,2-bis(3,4-dicarboxyphenyl)hexafluoropropane;4,4'-(Perfluoropropane-2,2-diyl)diphthalicacid;A820233;4,4?-(PERFLUOROPROPANE-2,2-DIYL)DIPHTHALIC ACID;F2167-9949;4,4 inverted exclamation mark -(Perfluoropropane-2,2-diyl)diphthalic Acid;4-[1-(3,4-dicarboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phthalic acid;4,4'-(Perfluoropropane-2,2-diyl)diphthalic Acid;4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylic acid

Chemical Property of 4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid

Chemical Property:

• Melting Point: 240-241 °C
• Boiling Point: 572.3 °C at 760 mmHg
• PKA: 2.51±0.10(Predicted)
• Flash Point: 299.9 °C
• PSA: 149.20000
• Density: 1.682 g/cm³
• LogP: 3.89010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 480.02798625
• Heavy Atom Count: 33
• Complexity: 741

Purity/Quality:

99% ^*data from raw suppliers

4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid 95+% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O

Technology Process of 4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid

There total 17 articles about 4,4'-(Perfluoropropane-2,2-diyl)diphthalic 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: 99.1%

C19H10F6O4 → 1,1,1,3,3,3-hexafluoro-2,2-di(3,4-dicarboxyphenyl)-propane (3016-76-0)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetone; at 10 ℃; Temperature;

Reference yield: 95.0%

4,4'-(hexafluoroisopropylidene)-bis-(o-xylene) (65294-20-4) → 1,1,1,3,3,3-hexafluoro-2,2-di(3,4-dicarboxyphenyl)-propane (3016-76-0)

Guidance literature:

With oxygen; lithium bromide; In acetonitrile; at 25 ℃; for 24h; under 775.743 Torr; Reagent/catalyst; Solvent; Irradiation;

Reference yield:

2,2-bis(3,4-dicyanophenyl)hexafluoropropane → 1,1,1,3,3,3-hexafluoro-2,2-di(3,4-dicarboxyphenyl)-propane (3016-76-0)

Guidance literature:

With water; potassium hydroxide; In methanol; at 110 ℃; for 40h;

upstream raw materials:

4,4'-(hexafluoroisopropylidene)-bis-(o-xylene)

o-xylene

phthalonitrile

N-butylphthalimide

Downstream raw materials:

4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic anhydride

Refernces

• 1、 -. "Method for synthesizing 4, 4'-(perfluoropropane-2, 2-diyl) diphthalic acid". Paragraph 0023-0030. . Retrieved 2021/06/23.
• 2、 -. "Preparation method of 4, 4 '-(hexafluoroisopropylidene) diphthalic anhydride". Paragraph 0022. . Retrieved 2020/04/17.