Methyl Heptafluoroisobutyrate

Base Information

• Chemical Name: Methyl Heptafluoroisobutyrate
• CAS No.: 680-05-7
• Molecular Formula: C5H3F7O2
• Molecular Weight: 228.066
• Hs Code.: 2915907098
• European Community (EC) Number: 677-565-0
• DSSTox Substance ID: DTXSID50379576
• Nikkaji Number: J1.661.484J
• Wikidata: Q81985801
• Mol file: 680-05-7.mol

Synonyms:Methyl Heptafluoroisobutyrate;680-05-7;Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate;methyl perfluoroisobutyrate;Methyl tetrafluoro-2-(trifluoromethyl)propionate;Heptafluoroisobutyric Acid Methyl Ester;Propanoic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-, methyl ester;2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid methyl ester;SCHEMBL226310;DTXSID50379576;MFCD00633403;AKOS009159394;BS-22317;FT-0628810;M2022;EN300-52108;D91568;A835961;methyl 2,3,3,3-tetrakis(fluoranyl)-2-(trifluoromethyl)propanoate

Chemical Property of Methyl Heptafluoroisobutyrate

Chemical Property:

• Vapor Pressure: 57.6mmHg at 25°C
• Refractive Index: 1.293
• Boiling Point: 76-77°C
• Flash Point: 9.1°C
• PSA: 26.30000
• Density: 1.492g/cm³
• LogP: 1.99230
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 228.00212647
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

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

Methyl Heptafluoroisobutyrate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl Heptafluoroisobutyrate

There total 1 articles about Methyl Heptafluoroisobutyrate 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: 76.3%

methanol (67-56-1) + heptafluoro-isobutyric acid (335-10-4) → methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate (680-05-7)

Guidance literature:

In water; at 50 ℃; for 6h; Inert atmosphere;

upstream raw materials:

methanol

heptafluoro-isobutyric acid

Refernces