Octafluoroadipic acid

Base Information

• Chemical Name: Octafluoroadipic acid
• CAS No.: 336-08-3
• Deprecated CAS: 62705-60-6
• Molecular Formula: C6H2F8O4
• Molecular Weight: 290.067
• Hs Code.: 29171900
• European Community (EC) Number: 206-407-1
• DSSTox Substance ID: DTXSID4059833
• Nikkaji Number: J20.400E
• Wikidata: Q81985251
• ChEMBL ID: CHEMBL1741942
• Mol file: 336-08-3.mol

Synonyms:Octafluoroadipic acid;336-08-3;Perfluoroadipic acid;2,2,3,3,4,4,5,5-Octafluorohexanedioic acid;Octafluorohexanedioic acid;Hexanedioic acid, octafluoro-;C6H2F8O4;Perfluorohexanedioic Acid;Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-;EINECS 206-407-1;Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-;AI3-19372;NSC51277;NSC-51277;diPFHxA;355-71-5;NCIStruc1_001037;NCIStruc2_001295;SCHEMBL712763;CHEMBL1741942;DTXSID4059833;Octafluoroadipic Acid, >/=98%;C6-H2-F8-O4;NCI51277;CCG-36837;MFCD00066405;NCGC00013638;AKOS000114556;NCGC00013638-02;NCGC00096750-01;BP-21132;BS-43823;NCI60_004240;FT-0631979;O0260;EN300-00112;D78479;2,2,3,3,4,4,5,5-Octafluorohexanedioic acid #;A821868;Z56922170

Chemical Property of Octafluoroadipic acid

Chemical Property:

• Appearance/Colour: white crystals with an acrid odour
• Vapor Pressure: 0.00149mmHg at 25°C
• Melting Point: 132-134 °C
• Refractive Index: 1.345
• Boiling Point: 274.4 °C at 760 mmHg
• PKA: 0.22±0.10(Predicted)
• Flash Point: 119.8 °C
• PSA: 74.60000
• Density: 1.806 g/cm³
• LogP: 1.69680
• Water Solubility.: almost transparency in Water
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 289.98253384
• Heavy Atom Count: 18
• Complexity: 340

Purity/Quality:

98%,99%, ^*data from raw suppliers

Octafluoroadipic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-60-45-28-24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS,Other Classes -> Organic Acids
• Canonical SMILES: C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O

Technology Process of Octafluoroadipic acid

There total 24 articles about Octafluoroadipic 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: 92.0%

dodecafluoro-1,6-diiodohexane (375-80-4) → perfluoroadipic acid (336-08-3)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 50 ℃; for 12h;

DOI:10.1016/S0022-1139(00)80387-5

Reference yield: 75.3%

decafluorocyclohex-1-ene (355-75-9) → perfluoroadipic acid (336-08-3)

Guidance literature:

With potassium permanganate; Aliquat 336; In water; acetone;

Reference yield: 72.2%

1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro-cyclohexene (336-19-6) → perfluoroadipic acid (336-08-3)

Guidance literature:

With potassium permanganate; benzyltriphenylphosphonium chloride; In water; benzene;

upstream raw materials:

1H,2H-decafluorocyclohexane

decafluorocyclohex-1-ene

2,3,3,4,4,5,5,6,6-nonafluorocyclohexene

perfluoro-1,7-octadiene

Downstream raw materials:

diethyl perfluoroadipate

2,2,3,3,4,4,5,5-Octafluoro-1,6-di-p-tolyl-hexane-1,6-dione

Perfluoradipinsaeure-diphenylester

Octafluor-1,4-bis-<4-brom-benzoyl>-butan

Refernces

• 1、 -. "Preparation method of fluorine-containing dicarboxylic acid". Paragraph 0045-0047. . Retrieved 2020/07/12.
• 2、 -. "Process for producing fluorine-containing aliphatic carboxylic acids". . . Retrieved 2008/06/13.