Perfluorooctanamide

Base Information

• Chemical Name: Perfluorooctanamide
• CAS No.: 423-54-1
• Molecular Formula: C8H2 F15 N O
• Molecular Weight: 413.086
• Hs Code.: 2924199090
• European Community (EC) Number: 207-027-9
• UNII: 2MC3KA5CES
• DSSTox Substance ID: DTXSID60195123
• Nikkaji Number: J196.096B
• Wikidata: Q81985550
• ChEMBL ID: CHEMBL367836
• Mol file: 423-54-1.mol

Synonyms:Perfluorooctanamide;423-54-1;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;EINECS 207-027-9;pentadecafluorooctanamide;perfluorooctaneamide;2MC3KA5CES;perfluorooctanoic acid amide;C7F15CONH2;C8H2F15NO;CHEMBL367836;SCHEMBL4523545;DTXSID60195123;C8-H2-F15-N-O;MFCD00039774;AKOS015852818;BS-25014;CS-0206725;FT-0632120;A825865;Octanamide, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-octanoic acid amide

Chemical Property of Perfluorooctanamide

Chemical Property:

• Vapor Pressure: 0.535mmHg at 25°C
• Melting Point: 137-139°C
• Boiling Point: 190.7°Cat760mmHg
• PKA: 12.95±0.50(Predicted)
• Flash Point: 69.1°C
• PSA: 43.09000
• Density: 1.696g/cm³
• LogP: 4.54610
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 412.9896861
• Heavy Atom Count: 25
• Complexity: 532

Purity/Quality:

98%min ^*data from raw suppliers

Perfluorooctanamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perfluorooctanamide

There total 6 articles about Perfluorooctanamide 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: 99.0%

methyl perfluorooctanoate (376-27-2) → perfluorooctanoyl ammonia (423-54-1)

Guidance literature:

With ammonia; In tetrahydrofuran; at 40 - 50 ℃;

Reference yield: 94.0%

pentadecafluorooctanoyl chloride (335-64-8) → perfluorooctanoyl ammonia (423-54-1)

Guidance literature:

With ammonia; calcium oxide; In ethanol; at 15 ℃; for 4h;

Reference yield:

Perfluorooctanoic acid (335-67-1) → perfluorooctanoyl ammonia (423-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅

2: NH₃ / diethyl ether

With phosphorus pentachloride; ammonia; In diethyl ether;

DOI:10.1007/BF00901328

upstream raw materials:

Octanoic acid

pentadecafluorooctanoyl chloride

perfluorononanoic acid

methyl perfluorooctanoate

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octylamine

perfluorooctanenitrile

N,N-Bis-<1.1-dihydro-perfluor-octyl>-harnstoff

Refernces

• 1、 -. "Gemini type air humidity reversal agent compound as well as preparation method and application thereof". Paragraph 0077; 0080. . Retrieved 2018/05/16.
• 2、 -. "FLUORINATED IMIDOYLAMIDINES VULCANIZING AGENTS". Page/Page column 30. . Retrieved 2008/06/13.