Pentafluoropropionaldehyde

Base Information

• Chemical Name: Pentafluoropropionaldehyde
• CAS No.: 422-06-0
• Molecular Formula: C3H F5 O
• Molecular Weight: 148.032
• Hs Code.: 2913000090
• European Community (EC) Number: 207-013-2
• UNII: UP47XVV2P8
• DSSTox Substance ID: DTXSID60195027
• Nikkaji Number: J99.963F
• Wikidata: Q81985549
• Mol file: 422-06-0.mol

Synonyms:2,2,3,3,3-Pentafluoropropanal;Pentafluoropropionaldehyde;422-06-0;Propanal, pentafluoro-;Perfluoropropionaldehyde;Propionaldehyde, pentafluoro-;UP47XVV2P8;EINECS 207-013-2;Pentafluoropropionaldehyde hydrate, tech.;C3HF5O;C3-H-F5-O;Aluminumfluoride;pentafluoropropanal;propanal, 2,2,3,3,3-pentafluoro-;UNII-UP47XVV2P8;SCHEMBL808892;DTXSID60195027;2,2,3,3,3-Pentafluoropropanal #;AKOS009158211;EN300-364982

Chemical Property of Pentafluoropropionaldehyde

Chemical Property:

• Vapor Pressure: 3350mmHg at 25°C
• Refractive Index: 1.322
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 40.46000
• Density: g/cm³
• LogP: 0.49470
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 147.99475546
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

2,2,3,3,3-PENTAFLUOROPROPANAL 95.00% ^*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(F)(F)F)(F)F

Technology Process of Pentafluoropropionaldehyde

There total 10 articles about Pentafluoropropionaldehyde 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: 82.0%

{1-[Dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-2,2,3,3,3-pentafluoro-propyl}-dimethyl-amine → 2,2,3,3,3-Pentafluoro-propionaldehyde (422-06-0)

Guidance literature:

With sulfuric acid; at 90 ℃;

DOI:10.1002/hlca.19880710210

Reference yield: 81.2%

Pentafluoroethyl iodide (354-64-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1,1,1,2,2-pentafluoroethane (354-33-6) + 2,2,3,3,3-Pentafluoro-propionaldehyde (422-06-0) + 2,2,3,3,3-pentafluoro-N,N-dimethylpropionamide (83599-57-9)

Guidance literature:

With lead(II) bromide; aluminium; at 5 ℃; for 4h;

DOI:10.1016/S0022-1139(00)80105-0

Reference yield: 23.0%

r-2-pentafluoroethyl-c-3,t-4-difluoro-oxetan (74960-16-0,75023-12-0,75023-13-1) → 2,2,3,3,3-Pentafluoro-propionaldehyde (422-06-0) + (E)-1,2-difluoroethene (1630-78-0) + (Z)-1,3,3,4,4,4-hexafluorobut-1-ene (75995-89-0) + (E)-1,3,3,4,4,4-hexafluorobut-1-ene (75995-91-4)

Guidance literature:

at 680 ℃; for 6.94444E-05h; under 2 - 3 Torr; Further byproducts given;

upstream raw materials:

2,2,3,3,3-pentafluoropropyl alcohol

r-2-pentafluoroethyl-c-3,t-4-difluoro-oxetan

Pentafluoroethyl iodide

N,N-dimethyl-formamide

Downstream raw materials:

3,3,4,4,4-Pentafluoro-2-butanol

1-ethoxy-2,2,3,3,3-pentafluoro-propan-1-ol

2,2,3,3,3-pentafluoropropyl alcohol

1,1,1,2,2-pentafluoro-4,4-dimethyl-pentan-3-ol

Refernces

• 1、 -. "HYDROFLUOROACETAL COMPOUND, MANUFACTURING METHOD AND USE THEREOF". Paragraph 0047. . Retrieved 2016/10/08.
• 2、 Hurley,Wallington,Sulbaek Andersen,Ellis,Martin,Mabury. "Atmospheric chemistry of fluorinated alcohols: Reaction with Cl atoms and OH radicals and atmospheric lifetimes". . p. 1973 - 1979. Retrieved 2007/10/03.