Heptafluorobutyraldehyde

Base Information

• Chemical Name: Heptafluorobutyraldehyde
• CAS No.: 375-02-0
• Molecular Formula: C4HF7O
• Molecular Weight: 198.04
• Hs Code.: 2913000090
• European Community (EC) Number: 206-783-7
• UNII: RV53GJ29JN
• DSSTox Substance ID: DTXSID10190946
• Nikkaji Number: J110.646E
• Wikidata: Q81985533
• Mol file: 375-02-0.mol

Synonyms:Heptafluorobutyraldehyde;375-02-0;2,2,3,3,4,4,4-Heptafluorobutanal;Butanal, heptafluoro-;Perfluorobutyraldehyde;Butyraldehyde, heptafluoro-;2,2,3,3,4,4,4-Heptafluorobutyraldehyde;EINECS 206-783-7;HEPTAFLUOROBUTYRALDEHYDE HYDRATE, TECH.;C4HF7O;C4-H-F7-O;perfluorobutanal;C3F7CHO;Heptafluoro-n-butyraldehyde;RV53GJ29JN;SCHEMBL809285;DTXSID10190946;Heptafluorobutyraldehyde, AldrichCPR;AKOS006229659;2,2,3,3,4,4,4-Heptafluorobutanal #;Butanal, 2,2,3,3,4,4,4-heptafluoro-;FT-0626900;2,2,3,3,4,4,4-HEPTAFLUOROBUTYRALDEHYDE HYDRATE

Chemical Property of Heptafluorobutyraldehyde

Chemical Property:

• Appearance/Colour: colorless Solid
• Vapor Pressure: 4.37mmHg at 25°C
• Melting Point: 61°C
• Refractive Index: 1.32
• Boiling Point: 95-96°C
• Flash Point: 32.6°C
• PSA: 40.46000
• Density: 1.521 g/cm³
• LogP: 1.13000
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 197.99156179
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

98%, ^*data from raw suppliers

Heptafluorobutyraldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Heptafluorobutyraldehyde

There total 8 articles about Heptafluorobutyraldehyde 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: 23.0%

r-2-heptafluoro-n-propyl-c-3,t-4-difluoro-oxetan (74960-18-2,76024-28-7,76024-29-8) → 2,2,3,3,4,4,4-heptafluorobutanal (375-02-0) + (E)-1,2-difluoroethene (1630-78-0) + (Z)-1,3,3,4,4,5,5,5-octafluoropent-1-ene (75995-90-3) + (E)-1,3,3,4,4,5,5,5-octafluoropent-1-ene (75995-92-5)

Guidance literature:

at 690 ℃; for 0.5h; under 3 - 4 Torr; Further byproducts given;

Reference yield:

2,2,3,3,4,4,4-heptafluoro-butane-1,1-diol (375-21-3) → 2,2,3,3,4,4,4-heptafluorobutanal (375-02-0)

Guidance literature:

With sulfuric acid; phosphorus pentoxide;

DOI:10.1021/ja01141a060 DOI:10.1021/ja01630a097 DOI:10.1021/ja01644a049

Reference yield:

formic acid ethyl ester (109-94-4) → 2,2,3,3,4,4,4-heptafluorobutanal (375-02-0)

Guidance literature:

With tetrahydrofuran; nitrogen; at -80 ℃; Hydrolysis_.bei anschliessenden Hydrolyse und Dehydratisierung des erhaltenen Heptafluorbutyraldehyd-hydrats mit hilfe von Phosphor(V)-oxid;

DOI:10.1021/ja01100a510

upstream raw materials:

heptafluorobutyronitrile

2,2,3,3,4,4,4-heptafluorobutanol

2,2,3,3,4,4,4-heptafluoro-butane-1,1-diol

r-2-heptafluoro-n-propyl-c-3,t-4-difluoro-oxetan

Downstream raw materials:

4,4,5,5,6,6,6-heptafluoro-1-phenyl-2-hexene-1-one

Heptafluor-n-propyl(pentafluorphenyl)methanol

C₁₈H₁₅F₇S₂

C₁₆H₈Cl₂F₆S₂

Refernces

• 1、 Braid et al.. "-". . p. 4027. Retrieved 1954.
• 2、 Hashikawa,Kawasaki,Waterland,Hurley,Ball,Wallington,Andersen, M.P. Sulbaek,Nielsen. "Gas phase UV and IR absorption spectra of CxF2x+1CHO (x = 1-4)". . p. 1925 - 1932. Retrieved 2004.
• 3、 Cornut, Damien,Lemoine, Hugues,Kanishchev, Oleksandr,Okada, Etsuji,Albrieux, Florian,Beavogui, Abdoul Habib,Bienvenu, Anne-Lise,Picot, Stéphane,Bouillon, Jean-Philippe,Médebielle, Maurice. "Incorporation of a 3-(2,2,2-Trifluoroethyl)-γ-hydroxy-γ-lactam motif in the side chain of 4-aminoquinolines. Syntheses and antimalarial activities". . p. 73 - 83. Retrieved 2013/02/23.