Methyl Perfluorononanoate

Base Information

• Chemical Name: Methyl Perfluorononanoate
• CAS No.: 51502-45-5
• Molecular Formula: C₁₀H₃F₁₇O₂
• Molecular Weight: 478.105
• Hs Code.: 2915900090
• European Community (EC) Number: 670-450-6
• DSSTox Substance ID: DTXSID40379560
• Nikkaji Number: J454.504D
• Wikidata: Q82169422
• Mol file: 51502-45-5.mol

Synonyms:Methyl Perfluorononanoate;51502-45-5;Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate;methylperfluorononanoate;Heptadecafluorononanoic Acid Methyl Ester;Methyl Heptadecafluorononanoate;C10H3F17O2;SCHEMBL196434;DTXSID40379560;Perfluorononanoic Acid Methyl Ester;MFCD00153213;AKOS003788928;AS-81636;Heptadecafluorononanoic acid, methyl ester;FT-0628784;M1915;D91553;A828629;1-(2FLUORO-2-DEOXYARABINOFURANOSYL)-5-IODOURACIL;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid methyl ester;methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanoate

Chemical Property of Methyl Perfluorononanoate

Chemical Property:

• Refractive Index: 1.307
• Boiling Point: 171.9 °C at 760 mmHg
• Flash Point: 56.7 °C
• PSA: 26.30000
• Density: 1.648 g/cm³
• LogP: 5.16880
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 8
• Exact Mass: 477.9861581
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

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

MethylPerfluorononanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi；F
• Hazard Codes: F,Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl Perfluorononanoate

There total 3 articles about Methyl Perfluorononanoate 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:

methanol (67-56-1) + heptadecafluorononanic acid chloride (52447-23-1) → perfluorononanoic acid methyl ester (51502-45-5)

Guidance literature:

With pyridine; at 0 - 5 ℃; for 4h;

DOI:10.1016/S0022-1139(00)85181-7

Reference yield:

perfluorononanoic acid (375-95-1) → perfluorononanoic acid methyl ester (51502-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, pyridine / 2 h / Heating

2: pyridine / 4 h / 0 - 5 °C

With pyridine; thionyl chloride;

DOI:10.1016/S0022-1139(00)85181-7

Reference yield:

→ perfluorononanoic acid methyl ester (51502-45-5)

Guidance literature:

CF3(CF2)7C(O)F in CF3(CF2)3CF3 + CF3(CF2)4CF3, CH3COOCH3;

upstream raw materials:

methanol

heptadecafluorononanic acid chloride

perfluorononanoic acid

Downstream raw materials:

perfluorononanamide

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonanoyl)-cyclohexanone

Refernces