2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl Chloride

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl Chloride
• CAS No.: 41405-35-0
• Molecular Formula: C7HClF12O
• Molecular Weight: 364.518
• Hs Code.: 2915900090
• European Community (EC) Number: 688-383-6
• DSSTox Substance ID: DTXSID00379829
• Nikkaji Number: J93.667G
• Wikidata: Q72470292
• Mol file: 41405-35-0.mol

Synonyms:41405-35-0;7h-dodecafluoroheptanoyl chloride;7H-Perfluoroheptanoyl chloride;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl Chloride;7H-Dodecafluoroheptanoylchloride;SCHEMBL3423677;DTXSID00379829;MFCD00153143;AKOS016015537;FT-0676274;A825544;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-n-heptanoic acid chloride

Chemical Property of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl Chloride

Chemical Property:

• Refractive Index: 1.323
• Boiling Point: 134.6 °C at 760 mmHg
• Flash Point: 35.2 °C
• PSA: 17.07000
• Density: 1.667 g/cm³
• LogP: 4.19340
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 363.9524303
• Heavy Atom Count: 21
• Complexity: 416

Purity/Quality:

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

7H-Perfluoroheptanoyl chloride 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(C(C(C(C(=O)Cl)(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-dodecafluoroheptanoyl Chloride

There total 2 articles about 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl Chloride 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-dodecafluoroheptanoic acid (1546-95-8) → 7,H-dodecafluoroheptanoyl chloride (41405-35-0)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; at 60 ℃; for 2.5h; Solvent; Temperature;

Reference yield:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 7,H-dodecafluoroheptanoyl chloride (41405-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrabutylammomium bromide; potassium permanganate / 8 h / 70 °C

2: thionyl chloride / tetrahydrofuran / 2.5 h / 60 °C

With potassium permanganate; thionyl chloride; tetrabutylammomium bromide; In tetrahydrofuran;

Reference yield: 96.0%

7,H-dodecafluoroheptanoyl chloride (41405-35-0) → 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride (375-84-8)

Guidance literature:

With fluorine; at 50 ℃; for 25h; Temperature;

upstream raw materials:

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

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

Downstream raw materials:

Perfluoro-7-hydroheptaldehyd

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluor-1-phenyl-heptan-1-on

methyl p-(ξ-hydroperfluoroenanthyloxy)benzoate

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-Tetradecafluoro-heptyloxy)-benzoic acid

Refernces

• 1、 Chengxue, Zhao,Renmo, Zhou,Heqi, Pan,Xiangshan, Jin,Yangling, Qu,et al.. "Thermal Decomposition of Some Perfluoro- and Polyfluorodiacyl Peroxides". . p. 2009 - 2013. Retrieved 2007/10/02.