2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid
• CAS No.: 1546-95-8
• Molecular Formula: C7H2F12O2
• Molecular Weight: 346.073
• Hs Code.: 2915900090
• European Community (EC) Number: 216-283-0
• DSSTox Substance ID: DTXSID70165670
• Nikkaji Number: J206.771D
• Wikidata: Q72470289
• Mol file: 1546-95-8.mol

Synonyms:1546-95-8;7H-Dodecafluoroheptanoic acid;7h-perfluoroheptanoic acid;2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid;Dodecafluoroheptanoic acid;7-H-Dodekafluorheptansaeure;omega-H-Dodekafluorheptansaeure;EINECS 216-283-0;omega-Monohydroperfluoroheptanoic acid;7-H-Dodekafluorheptansaeure [German];BRN 1807664;omega-H-Dodekafluorheptansaeure [German];HEPTANOIC ACID, 2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUORO-;C7H2F12O2;SCHEMBL198881;7H-dodecafluoro-heptanoic acid;DTXSID70165670;C7-H2-F12-O2;MFCD00054694;AKOS002662655;AT23288;BS-31069;LS-74388;FT-0621415;A809563;2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoicacid;2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoic acid

Chemical Property of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid

Chemical Property:

• Vapor Pressure: 0.272mmHg at 25°C
• Melting Point: 32-36 ºC
• Refractive Index: 1.295
• Boiling Point: 188.1 °C at 760 mmHg
• PKA: 0.53±0.10(Predicted)
• Flash Point: 67.6 °C
• PSA: 37.30000
• Density: 1.69 g/cm³
• LogP: 3.51260
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 345.9863172
• Heavy Atom Count: 21
• Complexity: 414

Purity/Quality:

97% ^*data from raw suppliers

7H-DodecafluoroheptanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid

There total 5 articles about 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic 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: 93.0%

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (1546-95-8)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; at 70 ℃; for 8h; Temperature; Reagent/catalyst;

Reference yield: 77.3%

1,10-Phenanthroline (66-71-7) + 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (1546-95-8)

Guidance literature:

With sodium hydroxide; CuCl₂; In 2-methyl-propan-1-ol;

Reference yield: 59.0%

1,1'-bipyridyl + 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (1546-95-8)

Guidance literature:

With sodium hydroxide; CuCl₂; In tert-butyl alcohol;

upstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol

dimethoxysilanediyl bis(7H-dodecafluoroheptanoate)

1,10-Phenanthroline

Downstream raw materials:

7,H-dodecafluoroheptanoyl chloride

7-Chlor-perfluorheptansaeure

1H,6H-perfluorohexane

1,7-Dihydrododecafluoroheptane-1,1-diol