3,3,3-Trifluoropropionitrile

Base Information

• Chemical Name: 3,3,3-Trifluoropropionitrile
• CAS No.: 20530-38-5
• Molecular Formula: C3H2F3N
• Molecular Weight: 109.051
• Hs Code.: 2926909090
• European Community (EC) Number: 675-572-3
• DSSTox Substance ID: DTXSID50507413
• Nikkaji Number: J2.103.653F
• Wikidata: Q82363631
• Mol file: 20530-38-5.mol

Synonyms:3,3,3-Trifluoropropionitrile;20530-38-5;3,3,3-trifluoropropanenitrile;Propanenitrile, 3,3,3-trifluoro-;MFCD07784277;3,3,3-TRIFLUOROPROPIONONITRILE;SCHEMBL575696;3,3,3-trifluoro-propionitrile;3, 3, 3-trifluoropropanenitrile;DTXSID50507413;3,3,3-tris(fluoranyl)propanenitrile;AKOS000151716;AB42916;AT19940;FS-4537;SY106668;EN300-49323;A814654;J-013386

Chemical Property of 3,3,3-Trifluoropropionitrile

Chemical Property:

• Vapor Pressure: 167mmHg at 25°C
• Refractive Index: 1.3045
• Boiling Point: 92oC
• PSA: 23.79000
• Density: 1.279
• LogP: 1.46238
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 109.01393355
• Heavy Atom Count: 7
• Complexity: 94.5

Purity/Quality:

97% ^*data from raw suppliers

3,3,3-Trifluoropropionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C#N)C(F)(F)F

Technology Process of 3,3,3-Trifluoropropionitrile

There total 3 articles about 3,3,3-Trifluoropropionitrile 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:

Trifluoro-(tris-trifluoromethyl-λ4-tellanyl)-methane (95776-70-8) → polytetrafluoroethylene (116-14-3,82785-14-6) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + trifluoromethan (75-46-7) + bis(trifluoromethyl) ditelluride (1718-20-3) + bis(trifluoromethyl)tellurium (55642-42-7) + 3,3,3-trifluoropropanenitrile (20530-38-5)

Guidance literature:

In acetonitrile; Irradiation; also thermal decomposition at 60 degC;

DOI:10.1016/S0022-1139(00)80903-3

Reference yield:

2H-hexafluoroisobutyronitrile (382-17-2) → 3,3,3-trifluoropropanenitrile (20530-38-5)

Guidance literature:

With potassium acetate; In acetic acid;

DOI:10.1007/BF01152707

Reference yield:

Perfluoromethacrylonitrile (52198-54-6) → 3,3,3-trifluoropropanenitrile (20530-38-5)

Guidance literature:

With water;

upstream raw materials:

2H-hexafluoroisobutyronitrile

Perfluoromethacrylonitrile

Trifluoro-(tris-trifluoromethyl-λ⁴-tellanyl)-methane

Downstream raw materials:

1-(2-amino-phenyl)-3,3,3-trifluoro-propan-1-one