2,3,3,3-Tetrafluoropropionitrile

Base Information

• Chemical Name: 2,3,3,3-Tetrafluoropropionitrile
• CAS No.: 431-32-3
• Molecular Formula: C3H F4 N
• Molecular Weight: 127.041
• Hs Code.: 2926909090
• European Community (EC) Number: 813-193-9
• Nikkaji Number: J27.798C
• Mol file: 431-32-3.mol

Synonyms:2,3,3,3-Tetrafluoropropionitrile;431-32-3;2,3,3,3-tetrafluoropropanenitrile;MFCD00069113;2,3,3,3-Tetrafluoropropiononitrile;SCHEMBL4863301;2,3,3,3-Tetrafluoropropanitrile;CFPAMJZAMYOJER-UHFFFAOYSA-N;AKOS006229991;2,3,3,3-tetrakis(fluoranyl)propanenitrile;FT-0609318;A826169

Chemical Property of 2,3,3,3-Tetrafluoropropionitrile

Chemical Property:

• Vapor Pressure: 498mmHg at 25°C
• Refractive Index: 1.27
• Boiling Point: 27.4°Cat760mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: 1.356g/cm³
• LogP: 1.41038
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 127.00451168
• Heavy Atom Count: 8
• Complexity: 117

Purity/Quality:

98%min ^*data from raw suppliers

2,3,3,3-Tetrafluoropropionitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C(#N)C(C(F)(F)F)F

Technology Process of 2,3,3,3-Tetrafluoropropionitrile

There total 6 articles about 2,3,3,3-Tetrafluoropropionitrile 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: 76.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 2,3,3,3-tetrafluoropropionitrile (431-32-3)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane; at -5 - 0 ℃; for 8h;

DOI:10.1016/S0022-1139(00)80949-5

Reference yield:

2-hydroperfluoropropionamide (1647-57-0) → 2,3,3,3-tetrafluoropropionitrile (431-32-3)

Guidance literature:

With phosphorus pentachloride; at 300 ℃;

Reference yield:

trifluoro-acrylonitrile (433-43-2) → 2,3,3,3-tetrafluoropropionitrile (431-32-3) + cis-perfluoro-4-methyl-2-pentenedinitrile (74032-54-5) + trans-perfluoro-4-methyl-2-pentenedinitrile (74032-55-6)

Guidance literature:

With potassium fluoride; In dimethyl sulfoxide; at 20 ℃; for 5h; Yields of byproduct given;

upstream raw materials:

perfluoropropylene

2-hydroperfluoropropionamide

trifluoro-acrylonitrile

ammonia

Downstream raw materials:

fluoromalonic acid diethyl ester

dimethyl 2-fluoromalonate

phenyl 1,2,2,2,-tetrafluoroethyl ketone

Refernces

• 1、 Svoboda, Jiri,Paleta, Oldrich,Dedek, Vaclav. "IONIC DIMERISATION OF TRIFLUOROPROPENENITRILE AND ITS ADDITION REACTIONS WITH METHYL TRIFLUOROPROPENOATE". . p. 406 - 414. Retrieved 2007/10/02.