Dodecafluorosuberic acid

Base Information

• Chemical Name: Dodecafluorosuberic acid
• CAS No.: 678-45-5
• Molecular Formula: C8H2F12O4.2(H2O)
• Molecular Weight: 390.082
• Hs Code.: 2917190090
• European Community (EC) Number: 670-455-3
• DSSTox Substance ID: DTXSID00369821
• Nikkaji Number: J802.687D
• Wikidata: Q72500641
• Mol file: 678-45-5.mol

Synonyms:Dodecafluorosuberic acid;678-45-5;Perfluorosuberic acid;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic Acid;Dodecafluoro-1,8-octanedioic Acid;Perfluorosuberic acid dihydrate;Perfluorooctanedioic acid;SCHEMBL714887;Perfluoro-1,8-octanedioic Acid;C8H2F12O4;DTXSID00369821;Dodecafluorosuberic Acid, >/=97%;MFCD00153146;AKOS003652426;FS-3846;D2465;FT-0676388;D90068;A835903

Chemical Property of Dodecafluorosuberic acid

Chemical Property:

• Appearance/Colour: almost white powder
• Melting Point: 139-144 °C(lit.)
• Boiling Point: 205°C 60mm
• PKA: 0.22±0.10(Predicted)
• PSA: 74.60000
• Density: 1.810±0.06 g/cm3(Predicted)
• LogP: 2.96740
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 389.9761465
• Heavy Atom Count: 24
• Complexity: 491

Purity/Quality:

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

Dodecafluorosuberic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Technology Process of Dodecafluorosuberic acid

There total 10 articles about Dodecafluorosuberic 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: 89.0%

1,8-diiodoperfluorooctane (335-70-6) → 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid (678-45-5)

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: 81.0%

(n-perfluoro hexyl) 1,6-di(magnesiumbromide) (55793-30-1) + carbon dioxide (124-38-9,18923-20-1) → 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid (678-45-5)

Guidance literature:

In tetrahydrofuran; reaction at -70°C, 22 hours;;

DOI:10.1016/S0022-1139(00)82624-X

Reference yield: 78.2%

→ 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid (678-45-5)

Guidance literature:

upstream raw materials:

octadecafluoro-deca-1,9-diene

1,8-diiodoperfluorooctane

(E)-2,2,3,3,4,4,5,5,6,6,7,7,8,9-Tetradecafluoro-dec-8-en-1-ol

sodium perfluoroctane-1,8-disulfinate

Refernces

• 1、 -. "Process for producing fluorine-containing aliphatic carboxylic acids". . . Retrieved 2008/06/13.
• 2、 -. "Process for the preparation of perfluorocarboxylic acids". . . Retrieved 2008/06/13.